SCHEMBL7187735

SCHEMBL7187735

NC(=O)OC(CC(=O)O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.47
AOC3 Q16853 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
ACP3 P15309 3/20 0.40
CASP1 P29466 1/20 0.40
PARP10 Q53GL7 1/20 0.39
CYP1A2 P05177 2/20 0.39
GAA P10253 1/20 0.38
ALOX5 P09917 1/20 0.38
NR4A1 P22736 1/20 0.38

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
SCHEMBL11566786 0.81 AOC3 (0.46) HPGDCYP2C9CYP2C19HTTALDH1A1
SCHEMBL11567917 0.78 KDM4E (0.49) CYP2C9ALDH1A1AOC3KDM4EL3MBTL1
SCHEMBL16541031 0.76 HPGD (0.59) HPGDCYP2C9CYP2C19HTTALDH1A1
SCHEMBL29666532 0.76 HPGD (0.59) HPGDCYP2C9CYP2C19HTTALDH1A1
SCHEMBL1520324 0.76 HPGD (0.59) HPGDCYP2C9CYP2C19HTTALDH1A1
SCHEMBL5720984 0.76 HPGD (0.59) HPGDCYP2C9CYP2C19HTTALDH1A1
SCHEMBL656946 0.76 HPGD (0.62) HPGDCYP2C9CYP2C19HTTALDH1A1
SCHEMBL17209569 0.75 ALOX5 (0.48) CYP2C9CYP2C19ALDH1A1AOC3KDM4E
SCHEMBL8961331 0.75 ALOX5 (0.48) CYP2C9CYP2C19ALDH1A1AOC3KDM4E
SCHEMBL8467415 0.75 ALOX5 (0.48) CYP2C9CYP2C19ALDH1A1AOC3KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed