SCHEMBL9055683

SCHEMBL9055683

O=C(O)C(Cl)(Cl)CCCCc1cccc(CCCCC(Cl)(Cl)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.44
GRM3 Q14832 4/20 0.44
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
LTB4R Q15722 4/20 0.42
PLAAT3 P53816 2/20 0.41
PLAAT5 Q96KN8 2/20 0.41
PLAAT2 Q9NWW9 2/20 0.41
PLAAT4 Q9UL19 2/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
FAAH O00519 3/20 0.39
CES1 P23141 3/20 0.39

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
SCHEMBL7614058 0.88 MAPT (0.55) GRM2GRM3LTB4RMAPTRXFP1
SCHEMBL7620869 0.88 MAPT (0.55) GRM2GRM3LTB4RMAPTRXFP1
SCHEMBL7615234 0.88 MAPT (0.55) GRM2GRM3LTB4RMAPTRXFP1
SCHEMBL7620987 0.88 MAPT (0.55) GRM2GRM3LTB4RMAPTRXFP1
SCHEMBL7620024 0.88 MAPT (0.55) GRM2GRM3LTB4RMAPTRXFP1
SCHEMBL7614749 0.88 MAPT (0.55) GRM2GRM3LTB4RMAPTRXFP1
SCHEMBL7614699 0.85 HDAC1 (0.54) GRM2GRM3MAPT
SCHEMBL9056155 0.84 S1PR2 (0.46) GRM2GRM3LTB4RMAPTRXFP1
SCHEMBL22921342 0.83 LTB4R (0.57) GRM2GRM3PPARGPPARALTB4R
SCHEMBL7619938 0.82 MAPT (0.49) GRM2GRM3LTB4RMAPTRXFP1

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
WO-1996011901-A1 NOVEL α,α,α',α'-TETRACHLOROBICARBOXYLIC ACIDS, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1996-04-25 WO disclosed