SCHEMBL9510635

SCHEMBL9510635

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C(CC(=O)O)CC2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 8/20 0.59
▸ ESR1 P03372 4/20 0.59
▸ ESR2 Q92731 3/20 0.59
▸ STS P08842 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ HIF1A Q16665 2/20 0.59
▸ AKR1B10 O60218 1/20 0.59
▸ SHBG P04278 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ PGR P06401 1/20 0.59
▸ SERPINA6 P08185 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ AR P10275 1/20 0.59
▸ CYP19A1 P11511 1/20 0.59
▸ AKR1B1 P15121 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ SLC6A4 P31645 1/20 0.59
▸ OPRM1 P35372 1/20 0.59
▸ SNCA P37840 1/20 0.59

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
SCHEMBL13374338 1.00 HSD17B1 (0.59) HSD17B1ESR1ESR2STSLMNA
SCHEMBL4893106 0.90 STS (0.69) HSD17B1ESR1ESR2STSLMNA
SCHEMBL4893115 0.90 STS (0.69) HSD17B1ESR1ESR2STSLMNA
SCHEMBL220159 0.88 ESR1 (0.63) HSD17B1ESR1ESR2STSLMNA
SCHEMBL18652154 0.88 STS (0.62) HSD17B1ESR1ESR2STSLMNA
SCHEMBL218464 0.88 STS (0.62) HSD17B1ESR1ESR2STSLMNA
SCHEMBL218463 0.88 STS (0.62) HSD17B1ESR1ESR2STSLMNA
SCHEMBL2738481 0.88 STS (0.62) HSD17B1ESR1ESR2STSLMNA
SCHEMBL217082 0.88 STS (0.62) HSD17B1ESR1ESR2STSLMNA
SCHEMBL217081 0.88 STS (0.62) HSD17B1ESR1ESR2STSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316320-B1 REDUCTION OF REPRODUCTIVE LOSSES COMMW SCIENT IND RES ORG (AU) 1993-11-03 — — EP disclosed
EP-0316320-A4 REDUCTION OF REPRODUCTIVE LOSSES. COMMW SCIENT IND RES ORG (AU) 1989-12-04 — — EP disclosed
EP-0316320-A1 REDUCTION OF REPRODUCTIVE LOSSES. COMMW SCIENT IND RES ORG (AU) 1989-05-24 — — EP disclosed
WO-1988000470-A1 REDUCTION OF REPRODUCTIVE LOSSES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 1988-01-28 — — WO disclosed
US-4457914-A VACCINATING AGAINST ANDROGEN OR ESTROGEN COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1984-07-03 — — US disclosed
US-4331657-A IMMUNIZING AGAINST A STEROIDAL ANDROGEN OR OESTROGEN COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1982-05-25 — — US disclosed
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