SCHEMBL6895271

SCHEMBL6895271

c1ccc(COc2ccc3c(c2)OCC(c2ccccc2)C3c2ccc(OCCCCCCCCCCN3CCOCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.61
ESR2 Q92731 5/20 0.61
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MCHR1 Q99705 1/20 0.47
HTT P42858 2/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
REN P00797 1/20 0.44

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
SCHEMBL6898203 1.00 ESR1 (0.61) ESR1ESR2ALDH1A1NPSR1TSHR
SCHEMBL6899562 0.99 ESR1 (0.62) ESR1ESR2ALDH1A1NPSR1TSHR
SCHEMBL7055570 0.94 ESR1 (0.69) ESR1ESR2MCHR1HTTREN
SCHEMBL7954540 0.90 ESR1 (0.49) ESR1ESR2ALDH1A1NPSR1TSHR
SCHEMBL8173325 0.90 ESR1 (0.59) ESR1ESR2ALDH1A1NPSR1TSHR
SCHEMBL7504460 0.90 ESR1 (0.76) ESR1ESR2ALDH1A1NPSR1TSHR
SCHEMBL7509413 0.90 ESR1 (0.76) ESR1ESR2ALDH1A1NPSR1TSHR
Hydrochloric Acid SCHEMBL8501561 0.89 ESR1 (0.58) ESR1ESR2ALDH1A1NPSR1TSHR
Hydrochloric Acid SCHEMBL7953075 0.89 ESR1 (0.75) ESR1ESR2ALDH1A1NPSR1TSHR
Hydrochloric Acid SCHEMBL7500496 0.89 ESR1 (0.75) ESR1ESR2ALDH1A1NPSR1TSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465619-A1 SUPPRESSION OF CARTILAGE DEGRADATION VIA THE ESTROGEN RECEPTOR Nordic Bioscience A/S (DK) 2004-10-13 EP disclosed
WO-2003063859-A1 SUPPRESSION OF CARTILAGE DEGRADATION VIA THE ESTROGEN RECEPTOR NORDIC BIOSCIENCE A/S (DK) 2003-08-07 WO 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
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-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-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
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-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-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