SCHEMBL2170213

SCHEMBL2170213

NC(=O)C(CCc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.54
PPARA Q07869 8/20 0.54
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
EPHX1 P07099 1/20 0.47
TAAR1 Q96RJ0 2/20 0.45
CNR2 P34972 2/20 0.44
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL2356411 0.86 EPHX1 (0.65) PPARGPPARALTA4HEPHX2EPHX1
SCHEMBL2171199 0.84 EPHX1 (0.49) PPARGPPARAEPHX1MMP12MMP13
SCHEMBL27592490 0.81 EPHX1 (0.68) EPHX1CNR2CNR1
SCHEMBL28283094 0.80 CNR2 (0.53) EPHX1CNR2MMP13HTT
SCHEMBL3391344 0.80 PPARG (0.57) PPARGPPARACNR2UTS2RHTT
SCHEMBL2172079 0.80 LTA4H (0.45) PPARGPPARALTA4HEPHX2EPHX1
SCHEMBL7562926 0.78 FFAR1 (0.50) PPARGPPARAMMP12MMP13
SCHEMBL28108266 0.77 EPHX1 (0.77) PPARGPPARAEPHX1CNR2L3MBTL1
SCHEMBL11220676 0.77 EPHX1 (0.46) PPARGPPARAEPHX1
SCHEMBL7360385 0.76 PPARG (0.48) PPARGPPARALTA4HEPHX2TAAR1

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-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed