SCHEMBL28089967

SCHEMBL28089967

CCCCC(CCCO)c1cccc(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.39
NOS1 P29475 4/20 0.36
NOS2 P35228 4/20 0.36
ALDH1A1 P00352 2/20 0.36
NOS3 P29474 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
KLKB1 P03952 1/20 0.35
PNMT P11086 1/20 0.35
LOXL2 Q9Y4K0 3/20 0.35
ADRA1D P25100 1/20 0.34
CYP2D6 P10635 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 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
SCHEMBL13092691 0.92 PNMT (0.40) ENPP2NOS1NOS2ALDH1A1NOS3
SCHEMBL13593566 0.86 PNMT (0.38) ENPP2NOS1NOS2ALDH1A1NOS3
SCHEMBL13593518 0.82 PNMT (0.42) ENPP2NOS1NOS2ALDH1A1NOS3
SCHEMBL10659715 0.81 ENPP2 (0.43) ENPP2NOS1NOS2ALDH1A1NOS3
SCHEMBL10236512 0.79 HTR2A (0.41) NOS1NOS2NOS3CYP2D6
SCHEMBL19511635 0.77 POLB (0.45) ALDH1A1OPRM1OPRK1
SCHEMBL9646366 0.77 CSNK1E (0.44) ENPP2NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL611348 0.77 HTR2A (0.39) NOS1NOS2NOS3CYP2D6
SCHEMBL21164522 0.76 PNMT (0.40) ENPP2NOS1NOS2ALDH1A1NOS3
SCHEMBL13508600 0.76 PNMT (0.45) ENPP2NOS1NOS2ALDH1A1NOS3

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-103391958-B Polycarbonate copolymer, coating liquid using same, electrophotographic photoreceptor, and method for producing polycarbonate copolymer 出光兴产株式会社 2016-08-10 CN disclosed