SCHEMBL13314871

SCHEMBL13314871

CCCC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.58
ACE P12821 2/20 0.57
GPR34 Q9UPC5 3/20 0.56
ITGB3 P05106 3/20 0.55
ITGA2B P08514 3/20 0.55
MME P08473 1/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
LTA4H P09960 1/20 0.54
LAP3 P28838 1/20 0.54
MBTPS1 Q14703 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
LPAR1 Q92633 2/20 0.53
LPAR3 Q9UBY5 2/20 0.53
YAP1 P46937 1/20 0.53
TACR1 P25103 1/20 0.53

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
SCHEMBL9052952 0.91 PPARG (0.69) PPARGACEGPR34ITGB3ITGA2B
SCHEMBL13647811 0.91 GPR34 (0.58) PPARGACEGPR34MMECPA1
SCHEMBL13296314 0.91 GPR34 (0.58) PPARGACEGPR34MMECPA1
SCHEMBL5966590 0.84 LPAR1 (0.65) PPARGITGB3ITGA2BLPAR1LPAR3
SCHEMBL8390536 0.84 BCL2 (0.52) PPARGACEGPR34ITGB3ITGA2B
SCHEMBL8418254 0.83 MMP9 (0.61) PPARGACEGPR34ITGB3ITGA2B
SCHEMBL8418262 0.83 MMP9 (0.61) PPARGACEGPR34ITGB3ITGA2B
SCHEMBL25901510 0.83 MME (0.62) PPARGACEGPR34MMECPA1
SCHEMBL23901567 0.83 LTA4H (0.61) PPARGACEGPR34MMECPA1
SCHEMBL9488674 0.82 TP53 (0.59) ACEMMP8TACR1

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-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed