SCHEMBL4575470

SCHEMBL4575470

NC(=O)C(=O)NCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.57
NR1H4 Q96RI1 1/20 0.57
HTR2C P28335 3/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
PPARG P37231 2/20 0.49
PPARA Q07869 2/20 0.49
PLA2G1B P04054 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
EPHX1 P07099 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NAMPT P43490 3/20 0.46
MAPK8 P45983 1/20 0.46

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
SCHEMBL6665002 0.87 EPHX2 (0.59) EPHX2NR1H4HTR2CCA12CA1
SCHEMBL15682671 0.86 EPHX2 (0.56) EPHX2NR1H4HTR2CCA12CA1
SCHEMBL4575965 0.82 MAPK14 (0.60) EPHX2HTR2CPPARGPPARAEPHX1
SCHEMBL6635990 0.82 EPHX2 (0.61) EPHX2NR1H4HTR2CCA12CA1
SCHEMBL3966634 0.81 EPHX2 (0.63) EPHX2NR1H4HTR2CCA12CA1
SCHEMBL13338010 0.81 MAPT (0.57) EPHX2NR1H4HTR2CCA12CA1
SCHEMBL15682711 0.80 EPHX2 (0.58) EPHX2NR1H4HTR2CCA12CA1
Hydrochloric Acid SCHEMBL30996820 0.79 EPHX2 (0.51) EPHX2NR1H4HTR2CCA12CA1
SCHEMBL27859550 0.79 EPHX2 (0.62) EPHX2NR1H4HTR2CCA12CA1
SCHEMBL4576236 0.79 MTOR (0.54) EPHX2NR1H4CA12CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP claimed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP claimed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO claimed
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO disclosed