SCHEMBL7717477

SCHEMBL7717477

CC(Nc1ccc(OC(F)(F)F)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.56
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
TRPV1 Q8NER1 3/20 0.48
POLB P06746 1/20 0.48
FAAH O00519 1/20 0.48
MAPT P10636 1/20 0.47
FPR2 P25090 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
KIF11 P52732 1/20 0.45

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
SCHEMBL7717474 1.00 EPHX2 (0.56) EPHX2ALDH1A1HPGDKMT2ATRPV1
Hydrochloric Acid SCHEMBL7704862 0.98 EPHX2 (0.54) EPHX2ALDH1A1HPGDKMT2ATRPV1
Hydrochloric Acid SCHEMBL7704859 0.98 EPHX2 (0.54) EPHX2ALDH1A1HPGDKMT2ATRPV1
SCHEMBL5499496 0.86 EPHX2 (0.54) EPHX2ALDH1A1HPGDKMT2ATRPV1
SCHEMBL11205128 0.84 ALDH1A1 (0.58) EPHX2ALDH1A1HPGDKMT2ATRPV1
SCHEMBL11205131 0.84 ALDH1A1 (0.58) EPHX2ALDH1A1HPGDKMT2ATRPV1
SCHEMBL11176944 0.83 EPHX2 (0.59) EPHX2ALDH1A1HPGDKMT2ATRPV1
SCHEMBL734815 0.82 NPC1 (0.49) EPHX2ALDH1A1HPGDPOLBMAPT
SCHEMBL734814 0.82 NPC1 (0.49) EPHX2ALDH1A1HPGDPOLBMAPT
SCHEMBL16712113 0.80 FPR2 (0.53) EPHX2ALDH1A1HPGDKMT2ATRPV1

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
US-6384014-B1 ANTIBIOTICS AS BACTERICIDES AVENTIS PHARMA S.A. (FR) 2002-05-07 US disclosed