SCHEMBL4007585

SCHEMBL4007585

O=C(O)C(=O)Nc1cc(C(F)(F)F)ccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.48
TRPV1 Q8NER1 1/20 0.47
FABP4 P15090 2/20 0.46
FABP5 Q01469 1/20 0.45
SERPINE1 P05121 2/20 0.43
NTRK1 P04629 3/20 0.43
IGF2BP2 Q9Y6M1 1/20 0.42
EPHX2 P34913 1/20 0.41
IDH2 P48735 1/20 0.41
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL4008586 0.90 TRPV1 (0.47) GPR35TRPV1SERPINE1NTRK1IGF2BP2
SCHEMBL1239656 0.88 GPR35 (0.52) GPR35TRPV1FABP4FABP5NTRK1
SCHEMBL1241406 0.78 GPR35 (0.49) GPR35TRPV1NTRK1IGF2BP2EPHX2
SCHEMBL14113041 0.77 TMPRSS4 (0.59) TRPV1NTRK1
SCHEMBL14113040 0.74 TMPRSS4 (0.51) NTRK1
SCHEMBL7254948 0.74 KDM4E (0.54) FABP4FABP5IDH2PTGDR2ALDH1A1
SCHEMBL4006444 0.73 ABL1 (0.40) IGF2BP2EPHX2AURKATPX2PTPN1
SCHEMBL4006520 0.73 CHRM3 (0.40) IGF2BP2EPHX2AURKATPX2PTPN1
SCHEMBL14113004 0.72 SCN5A (0.50) TRPV1SERPINE1PTGDR2
SCHEMBL4002954 0.72 EPHX2 (0.47) GPR35TRPV1IGF2BP2EPHX2ALDH1A1

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-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed