SCHEMBL7175346

SCHEMBL7175346

CCC(CCC/C=C/CCCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.51
CYP1A2 P05177 1/20 0.46
CA2 P00918 1/20 0.46
MAPK1 P28482 1/20 0.46
PPARG P37231 3/20 0.44
PTGES O14684 2/20 0.44
ALOX5 P09917 2/20 0.44
TOP1 P11387 1/20 0.44
FOLH1 Q04609 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 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
SCHEMBL7175350 1.00 GRIK1 (0.51) GRIK1CYP1A2CA2MAPK1PPARG
SCHEMBL7182950 0.90 PTGES (0.52) GRIK1CYP1A2CA2MAPK1PPARG
SCHEMBL7185562 0.90 GRIK1 (0.50) GRIK1CYP1A2PPARGPTGESALOX5
SCHEMBL7182944 0.90 PTGES (0.52) GRIK1CYP1A2CA2MAPK1PPARG
SCHEMBL7185565 0.90 GRIK1 (0.50) GRIK1CYP1A2PPARGPTGESALOX5
SCHEMBL1026190 0.88 GRIK1 (0.64) GRIK1CYP1A2CA2MAPK1PPARG
SCHEMBL586255 0.86 GRIK1 (0.58) GRIK1CYP1A2CA2MAPK1PPARG
SCHEMBL29650381 0.84 GRIK1 (0.56) GRIK1CYP1A2CA2MAPK1PPARG
SCHEMBL11050992 0.84 GRIK1 (0.56) GRIK1CYP1A2CA2MAPK1PPARG
SCHEMBL7175234 0.82 LTB4R (0.52) GRIK1MAPK1TOP1SMN1; SMN2

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
EP-1241941-B1 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES UNIV NORTH CAROLINA STATE (US) 2003-06-18 EP claimed