Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6498995

CCCOc1ccc(C(=O)NCc2cc(CC(OC(C)C)C(=O)O)ccn2)c(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.39
PPARA Q07869 12/20 0.39
PPARD Q03181 7/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
ACACB O00763 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
MAPT P10636 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL6504858 0.92 HPGD (0.40) PPARGPPARAPPARDHPGDRAB9A
SCHEMBL6499003 0.89 HPGD (0.37) PPARGPPARAPPARDHPGDRAB9A
Trifluoroacetic Acid SCHEMBL6505054 0.88 HPGD (0.49) PPARGPPARAPPARDHPGDRAB9A
Trifluoroacetic Acid SCHEMBL6497487 0.87 S1PR3 (0.40) PPARGPPARA
SCHEMBL6504955 0.81 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6504861 0.81 HPGD (0.39) HPGDRAB9AALDH1A1TP53NPC1
SCHEMBL6502816 0.80 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL6507629 0.80 PPARA (0.49) PPARGPPARAPPARD
SCHEMBL6504997 0.78 TP53 (0.40) PPARGPPARAPPARDACACBALDH1A1
SCHEMBL5553542 0.77 PPARG (0.40) PPARGPPARAPPARDRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed