SCHEMBL2955007

SCHEMBL2955007

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.59
NR1I3 Q14994 2/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
GRIN1 Q05586 7/20 0.47
GRIN2B Q13224 7/20 0.47
MBOAT4 Q96T53 3/20 0.45
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5450814 1.00 CYP19A1 (0.59) CYP19A1NR1I3CDK5CDK5R1GRIN1
SCHEMBL10609022 0.81 CDK5 (0.44) CYP19A1NR1I3CDK5CDK5R1GRIN1
SCHEMBL3224692 0.80 CDK5 (0.43) CYP19A1NR1I3CDK5CDK5R1GRIN1
SCHEMBL10609234 0.80 CDK5 (0.43) CYP19A1NR1I3CDK5CDK5R1GRIN1
SCHEMBL10780071 0.80 CDK5 (0.43) CYP19A1NR1I3CDK5CDK5R1GRIN1
SCHEMBL11654859 0.80 NR1I3 (0.46) CYP19A1NR1I3CDK5CDK5R1GRIN1
SCHEMBL1319449 0.79 NR1I3 (0.58) CYP19A1NR1I3CDK5CDK5R1GRIN1
SCHEMBL1319450 0.79 NR1I3 (0.58) CYP19A1NR1I3CDK5CDK5R1GRIN1
SCHEMBL19733225 0.79 NR1I3 (0.58) CYP19A1NR1I3CDK5CDK5R1GRIN1
SCHEMBL10879635 0.79 CYP19A1 (0.55) CYP19A1NR1I3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055060-A1 COSMETIC COMPOSITION JNC CORPORATION (JP) 2010-03-04 US disclosed
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed