SCHEMBL8613205

SCHEMBL8613205

CC(C)(C)NC(=O)C1CC[C@H]2[C@@H]3CNC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 14/20 1.00
SRD5A1 P18405 8/20 1.00
LMNA P02545 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
ABCC4 O15439 1/20 0.55
ABCB11 O95342 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
HSD3B1 P14060 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
THPO P40225 1/20 0.55
BLM P54132 1/20 0.55

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
SCHEMBL8613203 1.00 SRD5A2 (1.00) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL8615926 0.84 SRD5A1 (1.00) SRD5A2SRD5A1HSD3B1
SCHEMBL8615928 0.84 SRD5A1 (1.00) SRD5A2SRD5A1HSD3B1
SCHEMBL9540631 0.84 SRD5A2 (0.72) SRD5A2SRD5A1
SCHEMBL29842895 0.80 SRD5A2 (0.67) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL8532138 0.80 SRD5A2 (1.00) SRD5A2
SCHEMBL8611390 0.80 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8611644 0.80 SRD5A2 (1.00) SRD5A2
SCHEMBL8611392 0.80 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8613221 0.80 SRD5A2 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641356-B1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC (US) 1998-04-22 EP claimed
EP-0641356-B1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC (US) 1998-04-22 EP disclosed
US-5543406-A TREATING ANDROGEN RESPONSIVE OR MEDIATED DISEASE GLAXO WELLCOME, INC. (US) 1996-08-06 US disclosed
WO-1993013124-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO INC. (US) 1993-07-08 WO disclosed