SCHEMBL28110693

SCHEMBL28110693

CCCCCCCCCCCCCCCCN1CCC[C@@]1(CCCCCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR4 O95977 1/20 0.35
BCHE P06276 3/20 0.35
OPRM1 P35372 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL9803074 0.89 L3MBTL1 (0.34) OPRM1L3MBTL1
SCHEMBL3382769 0.84 CPB2 (0.35) CPB2S1PR1S1PR3S1PR5S1PR4
SCHEMBL1248113 0.81 L3MBTL1 (0.35) OPRM1L3MBTL1
SCHEMBL27714853 0.81 L3MBTL1 (0.35) OPRM1L3MBTL1
SCHEMBL3424287 0.81 L3MBTL1 (0.33) S1PR1S1PR3S1PR5L3MBTL1
SCHEMBL28087493 0.80 L3MBTL1 (0.36) CPB2OPRM1L3MBTL1
SCHEMBL10818617 0.79 L3MBTL1 (0.38) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL27205049 0.79
SCHEMBL27205051 0.79
SCHEMBL4412280 0.78 L3MBTL1 (0.35) CPB2OPRM1L3MBTL1

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-103189743-B The skin elasticity utilizing dermis equivalent strengthens merit rating method 株式会社爱茉莉太平洋 2016-10-19 CN disclosed