SCHEMBL9822532

SCHEMBL9822532

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 13/20 0.51
SRD5A1 P18405 6/20 0.51
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
ABCC4 O15439 1/20 0.50
ABCB11 O95342 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
HSD3B1 P14060 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 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
SCHEMBL8158240 0.85 SRD5A2 (0.67) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL8158243 0.85 SRD5A2 (0.67) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL9822483 0.82 SRD5A2 (0.74) SRD5A2SRD5A1
SCHEMBL9822591 0.80 SRD5A2 (0.53) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL17065133 0.79 AKR1B10 (0.58) SRD5A2LMNACYP3A4CYP2C9CYP2C19
SCHEMBL8394055 0.77 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL9822501 0.75 GRIN1 (0.53) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL9822464 0.75 SRD5A2 (0.55) SRD5A2SRD5A1
SCHEMBL9822528 0.74 SRD5A2 (0.54) SRD5A2SRD5A1
SCHEMBL9574630 0.73 SRD5A2 (0.68) SRD5A2SRD5A1LMNACYP3A4CYP2C9

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
EP-0289327-B1 STEROID 5-ALPHA-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-18 EP claimed