SCHEMBL7501801

SCHEMBL7501801

COc1ccc(OC)c(C(=O)c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.69
MAPT P10636 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
ALDH1A1 P00352 3/20 0.67
POLB P06746 2/20 0.61
SRD5A2 P31213 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
PTGES O14684 1/20 0.56
MAOB P27338 1/20 0.56
RXFP1 Q9HBX9 2/20 0.55
CYP2C9 P11712 1/20 0.55
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ATM Q13315 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL4092308 0.90 HTT (0.56) HTTMAPTNPSR1ALDH1A1POLB
SCHEMBL30785048 0.90 HTT (0.60) HTTMAPTNPSR1ALDH1A1POLB
SCHEMBL27934345 0.88 MAOB (0.57) HTTMAPTNPSR1ALDH1A1L3MBTL1
SCHEMBL4098564 0.86 HPGD (0.74) HTTMAPTALDH1A1POLBSRD5A2
SCHEMBL4222291 0.85 MAPT (0.84) HTTMAPTNPSR1ALDH1A1POLB
SCHEMBL9047043 0.84 SRD5A2 (0.65) HTTMAPTALDH1A1SRD5A2L3MBTL1
SCHEMBL4103033 0.84 POLB (0.56) HTTMAPTALDH1A1POLBSRD5A2
SCHEMBL28249518 0.83 POLB (0.67) HTTMAPTALDH1A1POLBRXFP1
SCHEMBL712706 0.82 CTSV (0.60) ALDH1A1L3MBTL1MAOBNR4A1NR4A2
SCHEMBL6375687 0.82 MAPT (0.96) HTTMAPTNPSR1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5958967-A CARDIOVASCULAR DISORDERS, COGNITION ACTIVATORS, INCONTINENCE,UROGENITAL DISORDERS, ACNE NOVO NORDISK A/S (DK) 1999-09-28 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-0934297-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-1998018772-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-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-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