SCHEMBL8333071

SCHEMBL8333071

CC[C@H]1C=C2CC(=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 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 10/20 0.71
SRD5A1 P18405 10/20 0.71
USP2 O75604 2/20 0.67
RORA P35398 3/20 0.58
NPC1L1 Q9UHC9 3/20 0.58
RORC P51449 2/20 0.58
GPR183 P32249 1/20 0.58
MEN1 O00255 1/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 1/20 0.52
CTSD P07339 1/20 0.52
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51

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
SCHEMBL8582643 0.89 USP2 (0.63) SRD5A2SRD5A1USP2RORANPC1L1
SCHEMBL8931526 0.89 USP2 (0.63) SRD5A2SRD5A1USP2RORANPC1L1
SCHEMBL30653764 0.89 GPR183 (0.74) SRD5A2SRD5A1USP2RORANPC1L1
SCHEMBL21449281 0.89 GPR183 (0.74) SRD5A2SRD5A1USP2RORANPC1L1
SCHEMBL8331946 0.89 SRD5A1 (0.72) SRD5A2SRD5A1USP2RORANPC1L1
SCHEMBL10066862 0.85 GPR183 (0.80) SRD5A2SRD5A1USP2RORANPC1L1
SCHEMBL8332687 0.83 SRD5A2 (1.00) SRD5A2SRD5A1USP2RORANPC1L1
SCHEMBL917735 0.83 SRD5A2 (1.00) SRD5A2SRD5A1USP2RORANPC1L1
SCHEMBL8335344 0.83 SRD5A2 (1.00) SRD5A2SRD5A1RORANPC1L1RORC
SCHEMBL916778 0.83 SRD5A2 (1.00) SRD5A2SRD5A1RORANPC1L1RORC

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 13 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 disclosed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP disclosed
EP-0572165-B1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO INC (US) 1997-09-17 EP disclosed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP disclosed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP disclosed
US-5543417-A 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent MERCK & CO., INC. (US) 1996-08-06 US disclosed
US-5527807-A TREATING ALOPECIA, ACNE, PROSTATE DISORDERS MERCK & CO., INC. (US) 1996-06-18 US disclosed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO disclosed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO disclosed
WO-1995013815-A1 COMBINATION METHOD FOR THE TREATMENT OF PATTERNED ALOPECIA MERCK & CO., INC. (US) 1995-05-26 WO disclosed
WO-1995013077-A1 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-3-ONES AS SELECTIVE 5α-REDUCTASE 1 INHIBITORS MERCK & CO., INC. (US) 1995-05-18 WO 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
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed