SCHEMBL9512698

SCHEMBL9512698

O=C(O)N(OCc1ccccc1)C(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
PPARG P37231 3/20 0.52
PPARA Q07869 3/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MAOB P27338 2/20 0.51
LTA4H P09960 3/20 0.49
LAP3 P28838 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
PPARD Q03181 1/20 0.47

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
SCHEMBL10693996 0.75 ALOX5 (0.61) ALOX5PTGS1PTGS2PPARGPPARA
SCHEMBL8865699 0.75 PPARG (0.63) ALOX5PTGS1PTGS2PPARGPPARA
SCHEMBL7801265 0.74 PPARA (0.70) PTGS1PTGS2PPARGPPARAFFAR1
SCHEMBL4924177 0.72 MAOB (0.68) ALOX5PTGS1PTGS2PPARGPPARA
SCHEMBL20943573 0.72 MAOB (0.72) ALOX5PTGS1PTGS2PPARGPPARA
SCHEMBL3803671 0.72 PPARG (0.59) ALOX5PTGS1PTGS2PPARGPPARA
SCHEMBL20943570 0.72 MAOB (0.72) ALOX5PTGS1PTGS2PPARGPPARA
SCHEMBL2164145 0.72 PPARG (0.67) PTGS1PTGS2PPARGPPARAFFAR1
SCHEMBL1069493 0.72 PPARG (0.67) PTGS1PTGS2PPARGPPARAFFAR1
SCHEMBL287969 0.72 PPARG (0.67) PTGS1PTGS2PPARGPPARAFFAR1

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-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed