SCHEMBL1123324

SCHEMBL1123324

CCOC(=O)CN(Cc1cccc(Oc2ccccc2)c1)C(=O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.46
PTGES O14684 2/20 0.45
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC2A1 P11166 1/20 0.44
MEP1B Q16820 1/20 0.44
LPAR5 Q9H1C0 2/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 1/20 0.42
MAOB P27338 1/20 0.42
F10 P00742 1/20 0.42
PIN1 Q13526 1/20 0.41

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
SCHEMBL1123181 0.95 LPAR1 (0.49) LPAR1PPARGPPARASLC2A1LPAR5
SCHEMBL1123230 0.94 LPAR1 (0.48) LPAR1PTGESPPARGPPARATSHR
SCHEMBL1122636 0.93 BCHE (0.50) PTGESPPARGPPARASLC2A1MEP1B
SCHEMBL1123277 0.89 PPARG (0.49) LPAR1PTGESPPARGPPARATSHR
SCHEMBL1123052 0.88 NR4A1 (0.45) LPAR1TSHRHSD17B10SLC2A1KDM4E
SCHEMBL1123244 0.85 LPAR1 (0.52) LPAR1PTGESPPARGPPARATSHR
SCHEMBL1122912 0.84 LPAR1 (0.49) LPAR1PTGESPPARGPPARATSHR
SCHEMBL1123189 0.84 LPAR1 (0.51) LPAR1PPARGPPARASLC2A1LPAR5
SCHEMBL1123023 0.83 MAOB (0.53) PTGESSLC2A1KMT2AMAOB
SCHEMBL1122837 0.82 PPARG (0.51) LPAR1PTGESPPARGPPARATSHR

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