SCHEMBL11537301

SCHEMBL11537301

C[C@@]12CCC[C@H]1[C@@H]1CCC3CCCC[C@]3(C=O)[C@H]1CC2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
NR1I3 Q14994 1/20 0.47
GRIN1 Q05586 9/20 0.45
GRIN2B Q13224 9/20 0.45
MBOAT4 Q96T53 3/20 0.44
CYP19A1 P11511 4/20 0.38

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
SCHEMBL4617584 1.00 CDK5 (0.47) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL26060780 1.00 CDK5 (0.47) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL11610130 1.00 CDK5 (0.47) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL947526 0.86 CDK5 (0.47) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL11328730 0.82 CDK5 (0.44) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL11328727 0.82 CDK5 (0.44) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL11583044 0.80 MBOAT4 (0.51) CDK5CDK5R1NR1I3MBOAT4CYP19A1
SCHEMBL11583046 0.80 MBOAT4 (0.51) CDK5CDK5R1NR1I3MBOAT4CYP19A1
SCHEMBL11578525 0.78 SHBG (0.48) GRIN1GRIN2BCYP19A1
SCHEMBL11578522 0.78 SHBG (0.48) GRIN1GRIN2BCYP19A1

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
CN-119817814-A Application of lactobacillus salivarius in preparation of product for improving senile male hormone secretion 光明乳业股份有限公司 2025-04-15 CN disclosed
US-4139617-A STEROIDS, ANTIDEPRESSANTS RICHARDSON-MERRELL INC. (US) 1979-02-13 US disclosed