SCHEMBL19871000

SCHEMBL19871000

CCCCCc1ccc(N(c2ccc(/C=C/C=C/c3ccccc3)cc2)c2ccc(/C=C/C=C/c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
TRPA1 O75762 1/20 0.46
TRPM2 O94759 1/20 0.46
PLA2G1B P04054 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
KCNH2 Q12809 1/20 0.45
HTR2A P28223 2/20 0.43
LPL P06858 4/20 0.42
LIPG Q9Y5X9 4/20 0.42
MAOB P27338 1/20 0.42
CYP3A4 P08684 2/20 0.42
HSD11B1 P28845 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
RELA Q04206 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL12680109 0.98 KCNH2 (0.48) CYSLTR2CYSLTR1TRPA1TRPM2PLA2G1B
SCHEMBL18680259 0.98 KCNH2 (0.48) CYSLTR2CYSLTR1TRPA1TRPM2PLA2G1B
SCHEMBL10013199 0.95 MAOB (0.44) CYSLTR2CYSLTR1TRPA1TRPM2PLA2G1B
SCHEMBL18052489 0.95 MAOB (0.44) CYSLTR2CYSLTR1TRPA1TRPM2PLA2G1B
SCHEMBL18680229 0.94 MAOB (0.42) CYSLTR2CYSLTR1TRPA1TRPM2PLA2G1B
SCHEMBL15759523 0.94 APP (0.43) CYSLTR2CYSLTR1TRPA1TRPM2PLA2G1B
SCHEMBL18417168 0.94 RELA (0.46) CYSLTR2CYSLTR1TRPA1TRPM2PLA2G1B
SCHEMBL18680247 0.93 KCNH2 (0.43) CYSLTR2CYSLTR1TRPA1TRPM2PLA2G1B
SCHEMBL18680244 0.93 KCNH2 (0.43) CYSLTR2CYSLTR1TRPA1TRPM2PLA2G1B
SCHEMBL13108027 0.92 KCNH2 (0.50) CYSLTR2CYSLTR1TRPA1TRPM2PLA2G1B

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
US-20180046099-A1 POLYARYLATE RESIN AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2018-02-15 US disclosed