SCHEMBL8679342

SCHEMBL8679342

CN1C(=O)C(OC(c2ccccc2)c2ccccc2)C[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.37
SRD5A2 P31213 2/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CYP19A1 P11511 3/20 0.36
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
MBOAT4 Q96T53 1/20 0.35
NR1I3 Q14994 1/20 0.34

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
SCHEMBL8018783 0.77 SRD5A1 (0.36) SRD5A1SRD5A2CDK5CDK5R1CYP19A1
SCHEMBL8007078 0.76 CDK5 (0.38) SRD5A1SRD5A2CDK5CDK5R1CYP19A1
SCHEMBL8076029 0.75 NR1I3 (0.47) CDK5CDK5R1CYP19A1GRIN1GRIN2B
SCHEMBL8679767 0.75 CDK5 (0.34) SRD5A1SRD5A2CDK5CDK5R1CYP19A1
SCHEMBL8680375 0.74 GRIN1 (0.36) SRD5A1GRIN1GRIN2B
SCHEMBL8023771 0.74 SRD5A1 (0.36) SRD5A1SRD5A2CDK5CDK5R1CYP19A1
SCHEMBL8679373 0.73 SRD5A1 (0.37) SRD5A1CDK5CDK5R1CYP19A1GRIN1
SCHEMBL8018769 0.73 SRD5A1 (0.41) SRD5A1CDK5CDK5R1CYP19A1GRIN1
SCHEMBL8024003 0.72 DDB1 (0.41) SRD5A1CDK5CDK5R1MBOAT4
SCHEMBL8019107 0.71 CDK5 (0.37) CDK5CDK5R1CYP19A1GRIN1GRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed