SCHEMBL9621582

SCHEMBL9621582

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

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 15/20 0.82
SRD5A2 P31213 8/20 0.82
LMNA P02545 2/20 0.82
CYP3A4 P08684 2/20 0.82
CYP2C9 P11712 2/20 0.82
CYP2C19 P33261 2/20 0.82
ABCC4 O15439 1/20 0.82
ABCB11 O95342 1/20 0.82
ADORA3 P0DMS8 1/20 0.82
CHRM1 P11229 1/20 0.82
HSD3B1 P14060 1/20 0.82
NFKB1 P19838 1/20 0.82
MAPK1 P28482 1/20 0.82
THPO P40225 1/20 0.82
BLM P54132 1/20 0.82

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
SCHEMBL9134496 1.00 SRD5A1 (0.82) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8749711 0.93 SRD5A1 (0.82) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL2297747 0.93 SRD5A1 (0.82) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL2294804 0.92 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8793134 0.92 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8793136 0.92 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL2294809 0.92 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL2293254 0.91 SRD5A1 (0.80) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL2293256 0.91 SRD5A1 (0.80) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL4173615 0.91 SRD5A1 (0.80) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0271220-B1 OXIDIZED ANALOGS OF 17 BETA-N-MONOSUBSTITUTED CARBAMOYL-4-AZA 5 ALPHA-ANDROST-1-EN-3-ONES MERCK & CO. INC. (US) 1992-01-29 EP claimed
US-4845104-A Oxidized analogs of 17β-N-monosubstituted-carbamoyl-4-aza-5-α-androstan-3-ones MERCK & CO., INC. (US) 1989-07-04 US claimed
EP-0271220-A1 Oxidized analogs of 17 beta-N-monosubstituted carbamoyl-4-aza 5 alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-06-15 EP claimed
EP-0271220-B1 OXIDIZED ANALOGS OF 17 BETA-N-MONOSUBSTITUTED CARBAMOYL-4-AZA 5 ALPHA-ANDROST-1-EN-3-ONES MERCK & CO. INC. (US) 1992-01-29 EP disclosed
US-4845104-A Oxidized analogs of 17β-N-monosubstituted-carbamoyl-4-aza-5-α-androstan-3-ones MERCK & CO., INC. (US) 1989-07-04 US disclosed
EP-0271220-A1 Oxidized analogs of 17 beta-N-monosubstituted carbamoyl-4-aza 5 alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-06-15 EP disclosed