SCHEMBL790006

SCHEMBL790006

C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C(=O)O)CC[C@@H]12

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.74
SRD5A2 P31213 10/20 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
SCHEMBL1099189 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9233678 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL10000653 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14397978 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14477868 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL1108300 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL24503471 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL13495833 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790007 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL25772412 1.00 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 2 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 claimed
WO-2012035553-A1 PROCESS FOR PREPARING ANDROSTENONE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2012-03-22 WO disclosed