SCHEMBL8544935

SCHEMBL8544935

CC(=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 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.74
SRD5A2 P31213 9/20 0.74
LMNA P02545 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
ABCC4 O15439 1/20 0.74
ABCB11 O95342 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
CHRM1 P11229 1/20 0.74
HSD3B1 P14060 1/20 0.74
NFKB1 P19838 1/20 0.74
MAPK1 P28482 1/20 0.74
THPO P40225 1/20 0.74
BLM P54132 1/20 0.74

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
SCHEMBL8544939 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14536870 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9233678 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790006 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL13495833 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL24503471 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL1108300 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14477868 0.91 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8573691 0.91 SRD5A2 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL10000653 0.91 SRD5A1 (0.74) 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
US-5760045-A BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1998-06-02 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 EP disclosed
US-5510351-A PREGNANE ENZYME INHIBITOR FOR TREATING SKIN DISORDER, BALDNESS, PROSTATIC CANCER MERCK & CO., INC. (US) 1996-04-23 US disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed