SCHEMBL8931530

SCHEMBL8931530

COC1C=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]12

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 17/20 0.82
SRD5A1 P18405 16/20 0.82
RORA P35398 2/20 0.50
RORC P51449 2/20 0.50
GPR183 P32249 1/20 0.50
NPC1L1 Q9UHC9 1/20 0.50

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
SCHEMBL917075 1.00 SRD5A2 (0.82) SRD5A2SRD5A1RORARORCGPR183
SCHEMBL8333868 0.90 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL917612 0.90 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL9546450 0.89 SRD5A2 (0.65) SRD5A2SRD5A1
SCHEMBL916778 0.88 SRD5A2 (1.00) SRD5A2SRD5A1RORARORCGPR183
SCHEMBL8335344 0.88 SRD5A2 (1.00) SRD5A2SRD5A1RORARORCGPR183
SCHEMBL916799 0.87 SRD5A2 (1.00) SRD5A2SRD5A1RORARORCGPR183
SCHEMBL8333592 0.87 SRD5A2 (1.00) SRD5A2SRD5A1RORARORCGPR183
SCHEMBL8333429 0.83 SRD5A1 (1.00) SRD5A2SRD5A1RORC
SCHEMBL916763 0.81 SRD5A1 (0.71) SRD5A2SRD5A1RORANPC1L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572165-A1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP claimed
WO-1993023419-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
EP-0572165-B1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO INC (US) 1997-09-17 EP disclosed
US-5527807-A TREATING ALOPECIA, ACNE, PROSTATE DISORDERS MERCK & CO., INC. (US) 1996-06-18 US disclosed
EP-0572165-A1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed