SCHEMBL27369735

SCHEMBL27369735

C=C=CC1CC(=O)N(C)[C@@H]2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]12C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.39
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CYP19A1 P11511 3/20 0.35
SRD5A1 P18405 4/20 0.34
SRD5A2 P31213 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL27259514 0.80 MBOAT4 (0.46) MBOAT4CDK5CDK5R1CYP19A1GRIN1
SCHEMBL8604667 0.80 MBOAT4 (0.42) MBOAT4CDK5CDK5R1CYP19A1GRIN1
SCHEMBL8542483 0.79 MBOAT4 (0.37) MBOAT4CDK5CDK5R1CYP19A1SRD5A1
SCHEMBL7741691 0.75 SRD5A2 (0.41) MBOAT4SRD5A1SRD5A2GRIN1GRIN2B
SCHEMBL7711769 0.74 MBOAT4 (0.38) MBOAT4CDK5CDK5R1CYP19A1SRD5A1
SCHEMBL8528297 0.73 HSD17B7 (0.42) MBOAT4SRD5A1SRD5A2
SCHEMBL8823337 0.73 MBOAT4 (0.38) MBOAT4SRD5A2
SCHEMBL8823339 0.73 MBOAT4 (0.38) MBOAT4SRD5A2
SCHEMBL28119193 0.72 CDK5 (0.43) MBOAT4CDK5CDK5R1CYP19A1GRIN1
SCHEMBL5596628 0.72 SRD5A1 (0.54) SRD5A1SRD5A2

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
CN-1053672-C Azasteroid compounds for the treatment of prostatic hypertrophy SANKYO CO (JP) 2000-06-21 CN disclosed