SCHEMBL8579148

SCHEMBL8579148

CC(C)CCOC1C(C)[C@@H]2[C@@H](CC[C@]3(C)CCC[C@@H]23)[C@@]2(C)CCC(=O)N(C)C12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 16/20 0.41
SRD5A2 P31213 13/20 0.41

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
SCHEMBL8523198 0.89 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8996745 0.88 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8996742 0.88 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL4557413 0.84 SRD5A1 (0.32) SRD5A1SRD5A2
SCHEMBL8996766 0.83 SRD5A1 (0.36) SRD5A1SRD5A2
SCHEMBL8996758 0.83 SRD5A1 (0.36) SRD5A1SRD5A2
SCHEMBL8524687 0.81 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8524175 0.80 SRD5A1 (0.36) SRD5A1SRD5A2
SCHEMBL8996733 0.79 STS (0.30) SRD5A1SRD5A2
SCHEMBL8522916 0.79 CYP19A1 (0.30) SRD5A1SRD5A2

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-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 EP claimed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP claimed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP claimed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed