SCHEMBL8072585

SCHEMBL8072585

C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)NC(c3ccc(F)cc3)(C(F)(F)F)C(F)(F)F)CC[C@@H]12

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 17/20 0.86
SRD5A2 P31213 10/20 0.86
LMNA P02545 3/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
ABCB11 O95342 2/20 0.71
ABCC4 O15439 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
CHRM1 P11229 1/20 0.71
HSD3B1 P14060 1/20 0.71
NFKB1 P19838 1/20 0.71
MAPK1 P28482 1/20 0.71
THPO P40225 1/20 0.71
BLM P54132 1/20 0.71
GLRA1 P23415 1/20 0.65
KEAP1 Q14145 1/20 0.65
NFE2L2 Q16236 1/20 0.65

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
SCHEMBL8072591 1.00 SRD5A1 (0.86) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8072089 0.94 SRD5A1 (0.88) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8072086 0.94 SRD5A1 (0.88) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7522489 0.93 SRD5A1 (0.86) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7522482 0.93 SRD5A1 (0.86) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8074418 0.93 SRD5A1 (0.85) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8074422 0.93 SRD5A1 (0.85) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7523345 0.93 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7523351 0.93 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8377383 0.87 SRD5A1 (0.88) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 EP claimed
EP-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 EP disclosed
EP-0902790-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1999-03-24 EP disclosed
WO-1997040062-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.P.A. (IT) 1997-10-30 WO disclosed