SCHEMBL8524175

SCHEMBL8524175

CC1C(Oc2ccccc2)C2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.36
SRD5A2 P31213 7/20 0.36
CYP19A1 P11511 3/20 0.32

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
SCHEMBL8523662 0.91 STS (0.30) SRD5A1SRD5A2CYP19A1
SCHEMBL8996733 0.91 STS (0.30) SRD5A1SRD5A2CYP19A1
SCHEMBL8523677 0.91 STS (0.32)
SCHEMBL8523449 0.91 SRD5A1 (0.33) SRD5A1
SCHEMBL8522770 0.91 PLA2G7 (0.33) SRD5A1
SCHEMBL8523102 0.89 KDM4E (0.34) SRD5A1SRD5A2CYP19A1
SCHEMBL8523238 0.89
SCHEMBL8524427 0.89 SRD5A1 (0.33) SRD5A1SRD5A2
SCHEMBL8996728 0.89 TRPC6 (0.35)
SCHEMBL8524254 0.89 EPHX2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 EP claimed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP claimed
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP claimed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO claimed
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 EP disclosed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP disclosed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO disclosed