Sugi Predict

Sugi Predict / Compounds / SCHEMBL8525376

SCHEMBL8525376

SCHEMBL8525376

CCCCCCCCCCCCCCCCCC(=O)NC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.58
▸ SRD5A2 P31213 2/20 0.55
▸ KCNH2 Q12809 5/20 0.51
▸ SRD5A1 P18405 1/20 0.45

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
SCHEMBL8525379 1.00 AR (0.58) ARSRD5A2KCNH2SRD5A1
SCHEMBL8498127 0.89 AR (0.57) ARSRD5A2KCNH2SRD5A1
SCHEMBL8498772 0.85 AR (0.58) ARSRD5A2KCNH2
SCHEMBL8498770 0.85 AR (0.58) ARSRD5A2KCNH2
SCHEMBL8527086 0.85 AR (0.56) ARSRD5A2KCNH2SRD5A1
SCHEMBL8071703 0.85 AR (0.60) ARSRD5A2KCNH2
SCHEMBL8071699 0.85 AR (0.60) ARSRD5A2KCNH2
SCHEMBL9745327 0.84 AR (0.66) ARSRD5A2KCNH2
SCHEMBL8079140 0.84 AR (0.63) ARSRD5A2KCNH2
SCHEMBL8079142 0.84 AR (0.63) ARSRD5A2KCNH2

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-0649431-B1 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-08-11 — — EP claimed
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 — — US claimed
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO claimed