SCHEMBL10874014

SCHEMBL10874014

O=C(O)/C=C(\Nc1ccc(OC(F)(F)F)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
EPHX2 P34913 4/20 0.61
MAPT P10636 3/20 0.53
FAAH O00519 1/20 0.52
TRPV1 Q8NER1 3/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX1 P07099 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL10874020 1.00 KMT2A (0.62) KMT2AEPHX2MAPTFAAHTRPV1
SCHEMBL10875185 0.80 EPHX2 (0.58) EPHX2TRPV1ALDH1A1L3MBTL1NPC1
SCHEMBL10875180 0.80 EPHX2 (0.58) EPHX2TRPV1ALDH1A1L3MBTL1NPC1
SCHEMBL2096312 0.79 EPHX2 (0.76) KMT2AEPHX2MAPTFAAHTRPV1
SCHEMBL8127012 0.77 ALDH1A1 (0.50) KMT2AMAPTALDH1A1GAAL3MBTL1
SCHEMBL11555827 0.77 EPHX2 (1.00) KMT2AEPHX2MAPTFAAHTRPV1
SCHEMBL2096310 0.75 EPHX2 (0.76) KMT2AEPHX2MAPTFAAHTRPV1
SCHEMBL6251503 0.75 EPHX2 (0.52) KMT2AEPHX2MAPTGAANPC1
SCHEMBL1313381 0.75 EPHX2 (0.52) KMT2AEPHX2MAPTGAANPC1
SCHEMBL1313384 0.75 EPHX2 (0.52) KMT2AEPHX2MAPTGAANPC1

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-0201203-A2 Method of treatment of plants with aniline derivatives MAY & BAKER LIMITED (GB) 1986-11-12 EP disclosed