SCHEMBL8164233

SCHEMBL8164233

CC(C)(C)NC(=O)C1CC[C@H]2[C@@H]3CCC4CC(C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.65
CYP3A4 P08684 4/20 0.52
LMNA P02545 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
MAPK1 P28482 2/20 0.52
THPO P40225 2/20 0.52
BLM P54132 2/20 0.52
SRD5A1 P18405 2/20 0.52
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
HSD3B1 P14060 1/20 0.52
NFKB1 P19838 1/20 0.52
GABRP O00591 2/20 0.51
GABRD O14764 2/20 0.51
G6PD P11413 2/20 0.51
GABRA1 P14867 2/20 0.51
GABRB1 P18505 2/20 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
SCHEMBL8164230 1.00 SRD5A2 (0.65) SRD5A2CYP3A4LMNACYP2C9CYP2C19
SCHEMBL9318704 0.84 SRD5A2 (0.72) SRD5A2CYP3A4LMNACYP2C9CYP2C19
SCHEMBL9822501 0.84 GRIN1 (0.53) SRD5A2CYP3A4LMNACYP2C9CYP2C19
SCHEMBL8164220 0.79 SRD5A2 (1.00) SRD5A2CYP3A4LMNAMAPK1BLM
SCHEMBL8164216 0.79 SRD5A2 (1.00) SRD5A2CYP3A4LMNAMAPK1BLM
SCHEMBL8158240 0.75 SRD5A2 (0.67) SRD5A2CYP3A4LMNACYP2C9CYP2C19
SCHEMBL8158243 0.75 SRD5A2 (0.67) SRD5A2CYP3A4LMNACYP2C9CYP2C19
SCHEMBL9501460 0.75 SRD5A2 (0.62) SRD5A2CYP3A4LMNACYP2C9CYP2C19
SCHEMBL9066592 0.74 SRD5A2 (0.61) SRD5A2CYP3A4LMNACYP2C9CYP2C19
SCHEMBL3120988 0.74 GABRP (0.69) SRD5A2CYP3A4LMNACYP2C9CYP2C19

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 8 patents. 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
EP-0289327-A2 Steroid 5-alpha-reductase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-11-02 EP claimed
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed
EP-0289327-B1 STEROID 5-ALPHA-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-18 EP disclosed
US-5017568-A Enzyme inhibitors, carboxylation SMITHKLINE BEECHAM CORPORATION (US) 1991-05-21 US disclosed
EP-0289327-A2 Steroid 5-alpha-reductase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-11-02 EP disclosed