SCHEMBL7023880

SCHEMBL7023880

COc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.60
ESR2 Q92731 6/20 0.60
CYP19A1 P11511 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DRD3 P35462 2/20 0.47
DRD2 P14416 1/20 0.47
EDNRB P24530 2/20 0.44
EDNRA P25101 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCB1 P08183 2/20 0.42
CYP3A4 P08684 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7023886 1.00 ESR1 (0.60) ESR1ESR2CYP19A1MAPTMAPK1
SCHEMBL22536180 1.00 ESR1 (0.60) ESR1ESR2CYP19A1MAPTMAPK1
SCHEMBL7023891 1.00 ESR1 (0.60) ESR1ESR2CYP19A1MAPTMAPK1
SCHEMBL19787655 0.94 ESR1 (0.53) ESR1ESR2CYP19A1MAPTMAPK1
SCHEMBL7504250 0.89 ESR1 (0.49) ESR1ESR2CYP19A1MAPTMAPK1
SCHEMBL7504256 0.89 ESR1 (0.49) ESR1ESR2CYP19A1MAPTMAPK1
SCHEMBL20831831 0.89 ESR1 (0.58) ESR1ESR2MAPTMAPK1TDP1
SCHEMBL15013033 0.89 ESR1 (0.58) ESR1ESR2MAPTMAPK1TDP1
SCHEMBL20831829 0.89 ESR1 (0.58) ESR1ESR2MAPTMAPK1TDP1
SCHEMBL2604720 0.89 ESR1 (0.58) ESR1ESR2MAPTMAPK1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937057-B1 NOVEL (-)-ENANTIOMERS OF CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK AS (DK) 2003-01-15 EP disclosed
EP-0937060-B1 CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK AS (DK) 2002-12-11 EP disclosed
US-6316494-B1 FOR THERAPY AND PROPHYLAXIS OF BONE LOSS, OSTEOPOROSIS, CARDIOVASCULAR DISEASES, COGNITIVE DISORDERS, MENOPAUSAL SYMPTOMS, INCONTINENCE, OBESITY, DYSMENORRHEA, DYSFUNCTIONAL UTERINE BLEEDING, ACNE, HIRSUTISM, POST-PARTUM LACTATION NOVO NORDISK A/S (DK) 2001-11-13 US disclosed
US-6043269-A ESTROGEN AGONISTS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
US-5994390-A OSTEOPOROSIS; CARDIOVASCULAR DISORDERS; UROGENITAL DISORDERS NOVO NORDISK (DK) 1999-11-30 US disclosed
US-5985306-A (+)-enantiomers of cis-3,4-chroman derivatives useful in prevention or treatment of estrogen diseases or syndromes NOVO NORDISK A/S (DK) 1999-11-16 US disclosed
EP-0937061-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
EP-0937058-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
EP-0937060-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
EP-0937059-A1 NOVEL $i(TRANS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
EP-0934299-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
EP-0934298-A1 NOVEL (+)-ENANTIOMERS OF $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
US-5919817-A NOVEL HYDROXY SUBSTITUTED CIS-3,4-DI((SUBSTITUTED)PHENYL) CHROMANE DERIVATIVES NOVO NORDISK A/S (DK) 1999-07-06 US disclosed
WO-1998018774-A1 NOVEL TRANS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018778-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018771-A1 NOVEL (-)-ENANTIOMERS OF CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018773-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018775-A1 NOVEL (+)-ENANTIOMERS OF CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018777-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018776-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed