SCHEMBL8523865

SCHEMBL8523865

CO[C@@]1(C)C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.52
SRD5A2 P31213 1/20 0.52

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
SCHEMBL916880 1.00 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL917151 0.84 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL916288 0.82 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL915644 0.81 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL7903642 0.79 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL7802581 0.78 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL7527164 0.78 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL7905878 0.78 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL916468 0.77 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL917921 0.76 SRD5A1 (0.56) 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 3 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
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed