SCHEMBL7475418

SCHEMBL7475418

Cc1c(Cc2ccccc2C(=O)O)[nH]c2ccc(OCc3ccc(-c4ccccc4)cc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.50
LTA4H P09960 3/20 0.50
PLA2G2A P14555 3/20 0.50
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44

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
SCHEMBL7478300 0.91 GABRA1 (0.52) LTA4HPLA2G2AKDM4EHPGDMAPT
SCHEMBL7476207 0.84 GABRA1 (0.58) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL7480676 0.81 CYSLTR1 (0.51) KDM4EMAPTHSD17B10LMNAALDH1A1
SCHEMBL5504619 0.75 KDM4E (0.69) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL25904016 0.75 TRPM8 (0.59) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL6600768 0.73 TRPM8 (0.57) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL28819188 0.73 GABRA1 (0.59) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL22074470 0.72 TRPM8 (0.54) LTA4HPLA2G2AKDM4EHPGDMAPT
SCHEMBL4151637 0.71 TRPM8 (0.57) KDM4EHPGDMAPTHSD17B10LMNA
Pivalate SCHEMBL27561429 0.71 KDM4E (0.54) LTA4HPLA2G2AKDM4EHPGDMAPT

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-1210343-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-06-05 EP disclosed
WO-2001012187-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-02-22 WO disclosed