SCHEMBL1122837

SCHEMBL1122837

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
LPAR1 Q92633 7/20 0.51
LPAR5 Q9H1C0 6/20 0.51
SLC2A1 P11166 1/20 0.49
PTGES O14684 3/20 0.48
ALOX5 P09917 2/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DAGLA Q9Y4D2 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL1123277 0.93 PPARG (0.49) PPARGPPARALPAR1LPAR5SLC2A1
SCHEMBL1123335 0.91 LPAR1 (0.52) PPARGPPARALPAR1LPAR5SLC2A1
SCHEMBL1123189 0.90 LPAR1 (0.51) PPARGPPARALPAR1LPAR5SLC2A1
SCHEMBL1123230 0.88 LPAR1 (0.48) PPARGPPARALPAR1LPAR5SLC2A1
SCHEMBL1122692 0.86 LPAR1 (0.55) PPARGPPARALPAR1LPAR5SLC2A1
SCHEMBL1122838 0.86 PTGES (0.48) PPARGPPARALPAR1LPAR5PTGES
SCHEMBL1123250 0.85 L3MBTL1 (0.53) PPARGPPARALPAR1LPAR5PTGES
SCHEMBL1122914 0.84 KMT2A (0.51) PPARGPPARASLC2A1PTGESALOX5
SCHEMBL1122952 0.84 LPAR1 (0.53) LPAR1LPAR5FFAR1
SCHEMBL1122912 0.84 LPAR1 (0.49) PPARGPPARALPAR1LPAR5SLC2A1

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed