SCHEMBL28013258

SCHEMBL28013258

CCC1(C(=O)OC2CCCCC2)CCC23OC2(C1)O3

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
CYP2C19 P33261 1/20 0.37
NAAA Q02083 2/20 0.36
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19837777 0.79 CYP2C19 (0.53) EPHX1CYP2C19NAAAHTTL3MBTL1
SCHEMBL4134537 0.78 CYP2C19 (0.36) EPHX1CYP2C19NAAAHTT
SCHEMBL28001769 0.74 CYP2C19 (0.36) EPHX1CYP2C19
SCHEMBL28256036 0.73 CYP2C19 (0.35) EPHX1CYP2C19
SCHEMBL27652234 0.72 EPHX1 (0.39) EPHX1CYP2C19NAAAHTTL3MBTL1
SCHEMBL19837775 0.70 CYP2C19 (0.46) EPHX1CYP2C19NAAAHTT
SCHEMBL14967710 0.70 EPHX1 (0.45) EPHX1CYP2C19NAAAHTTL3MBTL1
SCHEMBL14966566 0.70 CYP2C19 (0.43) EPHX1CYP2C19NAAAHTTL3MBTL1
SCHEMBL14967530 0.70 EPHX1 (0.41) EPHX1CYP2C19NAAAHTTL3MBTL1
SCHEMBL14967391 0.70 CYP2C19 (0.43) EPHX1CYP2C19NAAAHTTL3MBTL1

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-102791803-B Composition for ultraviolet absorbing member and ultraviolet absorbing member using same SUMITOMO SEIKA CHEMICALS 2015-07-01 CN disclosed