SCHEMBL797724

SCHEMBL797724

CC1(C(=O)O)CC[C@H]2[C@@H]3CCC4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 10/20 0.55
SRD5A2 P31213 9/20 0.55
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
SCHEMBL6401740 0.84 SRD5A1 (0.58) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8023777 0.80 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL9306767 0.80 SRD5A1 (0.47) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8895974 0.79 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL8021062 0.79 SRD5A2 (0.51) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8006823 0.79 SRD5A1 (0.59) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8006820 0.79 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL4266160 0.79 SRD5A1 (0.66) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL4266165 0.79 SRD5A1 (0.66) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL24503471 0.78 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035553-A1 PROCESS FOR PREPARING ANDROSTENONE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2012-03-22 WO disclosed
EP-0298652-B1 Dehydrogenation process and intermediates MERCK & CO INC (US) 1995-01-18 EP disclosed
US-5187278-A Trialkylsilyl trifluoromethanesulfonate mediated α-methylenic carbon functionalization of 4-aza-5α-androstan-3-one steroids MERCK & CO., INC. (US) 1993-02-16 US disclosed
US-5116983-A Azasteroids as intermediates MERCK & CO., INC. (US) 1992-05-26 US disclosed
EP-0473226-A2 Trialkysilyl trifluoromethanesulfonate mediated functionalization of 4-aza-5alpha-androstan-3-one steroids MERCK & CO. INC. (US) 1992-03-04 EP disclosed
US-5091534-A Trialkylsilyl trifluoromethanesulfonate mediated α-methylenic carbon functionalization of 4-AZA-5α-androstan-3-one steroids MERCK & CO., INC. (US) 1992-02-25 US disclosed
US-5084574-A Reacting a 3-oxo-4-azasteroid with a silyating agent and quinone to form a double bond at the #1 ring position MERCK & CO., INC. (US) 1992-01-28 US disclosed
EP-0298652-A2 Dehydrogenation process and intermediates MERCK & CO. INC. (US) 1989-01-11 EP disclosed