SCHEMBL1123335

SCHEMBL1123335

O=C(O)CCN(Cc1cccc(Oc2ccccc2)c1)C(=O)c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.52
LPAR5 Q9H1C0 7/20 0.52
PTGES O14684 2/20 0.50
SLC2A1 P11166 1/20 0.48
FFAR1 O14842 3/20 0.48
FFAR4 Q5NUL3 2/20 0.48
LTA4H P09960 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACHE P22303 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
SCHEMBL1122952 0.94 LPAR1 (0.53) LPAR1LPAR5FFAR1LTA4H
SCHEMBL1122692 0.93 LPAR1 (0.55) LPAR1LPAR5PTGESSLC2A1LTA4H
SCHEMBL1122912 0.93 LPAR1 (0.49) LPAR1LPAR5PTGESSLC2A1FFAR1
SCHEMBL1122949 0.91 FFAR1 (0.52) PTGESSLC2A1FFAR1PPARGPPARA
SCHEMBL1122837 0.91 PPARG (0.51) LPAR1LPAR5PTGESSLC2A1FFAR1
SCHEMBL1122959 0.88 LPAR1 (0.54) LPAR1LPAR5SLC2A1LTA4H
SCHEMBL1123244 0.86 LPAR1 (0.52) LPAR1LPAR5PTGESSLC2A1PPARG
SCHEMBL1123557 0.85 PTGES (0.52) PTGESSLC2A1FFAR1PPARGALOX5
SCHEMBL1123394 0.84 KMT2A (0.52) PTGESFFAR1FFAR4PPARGPPARA
SCHEMBL1123277 0.84 PPARG (0.49) LPAR1LPAR5PTGESSLC2A1PPARG

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
CN-1835914-A New benzamides as PPAR[upsilon] modulators S A L V A T LAB SA (ES) 2006-09-20 CN disclosed