SCHEMBL9005677

SCHEMBL9005677

C[C@H]1C[C@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 8/20 0.56
SRD5A2 P31213 8/20 0.56

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
SCHEMBL9005680 1.00 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL5069369 0.87 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL5069375 0.87 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL8585433 0.85 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8587592 0.83 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL917214 0.83 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL7903617 0.82 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL915495 0.82 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL915553 0.82 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8099549 0.81 SRD5A1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585383-A SKIN DISORDERS; ALOPECIA; CRYSTALLIZATION FROM A OIL MERCK & CO., INC. (US) 1996-12-17 US disclosed