SCHEMBL31331676

SCHEMBL31331676

Nc1c(Cc2ccc3ccccc3c2)cccc1Cc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
MPO P05164 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
TBXA2R P21731 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGFR P43088 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
PTGDR Q13258 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
CTRC Q99895 1/20 0.47
MC5R P33032 2/20 0.47
MAPK1 P28482 1/20 0.47
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL22666679 0.81 ALOX5 (0.53) ALOX5MPOHTR2AHTR2CHTR2B
SCHEMBL31510162 0.81 ALOX5 (0.53) ALOX5MPOHTR2AHTR2CHTR2B
SCHEMBL31509450 0.81 MAPK1 (0.65) ALOX5MPOHTR2AHTR2CHTR2B
SCHEMBL28256206 0.81 ALOX5 (0.53) ALOX5MPOHTR2AHTR2CHTR2B
SCHEMBL7915037 0.81 MAPK1 (0.65) ALOX5MPOHTR2AHTR2CHTR2B
SCHEMBL19359208 0.81 ALOX5 (0.53) ALOX5MPOHTR2AHTR2CHTR2B
SCHEMBL5218890 0.80 ROCK1 (0.52) ALOX5MPOCYP1A2CYP2A6CTRC
SCHEMBL2838141 0.79 CYP1A2 (0.65) ALOX5HTR2AHTR2CHTR2BCYP1A2
SCHEMBL25381582 0.78 CYP2A6 (0.55) ALOX5MPOHTR2AHTR2CHTR2B
SCHEMBL1527812 0.77 ALOX5 (0.72) ALOX5TBXA2RPTGER4PTGFRPTGER3

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-119264190-A Flexible monoaryl methyl alpha-diimine palladium (II) catalyst and application thereof in ethylene catalytic polymerization 安徽师范大学 2025-01-07 CN disclosed