SCHEMBL8158240

SCHEMBL8158240

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 14/20 0.67
SRD5A1 P18405 7/20 0.58
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 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
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL8158243 1.00 SRD5A2 (0.67) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL9318780 0.86 SRD5A2 (0.73) SRD5A2SRD5A1
SCHEMBL9822532 0.85 SRD5A2 (0.51) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL8157959 0.80 SRD5A2 (1.00) SRD5A2
SCHEMBL8157961 0.80 SRD5A2 (1.00) SRD5A2
SCHEMBL8157882 0.78 SRD5A2 (0.67) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL10705139 0.78 SRD5A2 (0.67) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL8157884 0.78 SRD5A2 (0.67) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL9066590 0.78 SRD5A2 (0.64) SRD5A2CYP3A4
SCHEMBL9574630 0.76 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 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