Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6504387

Cc1sc(-c2ccc(Cl)cc2)nc1C(=O)NCc1cc(CC(OC(C)C)C(=O)O)ccn1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.42
PPARG P37231 11/20 0.42
PPARD Q03181 10/20 0.42
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37
GAA P10253 1/20 0.37

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 SCHEMBL6505042 0.94 PPARA (0.42) PPARAPPARGPPARD
Trifluoroacetic Acid SCHEMBL6498705 0.93 PPARA (0.37) PPARAPPARGPPARD
Trifluoroacetic Acid SCHEMBL6531504 0.93 PPARA (0.40) PPARAPPARGPPARD
Trifluoroacetic Acid SCHEMBL6494737 0.91 PPARA (0.44) PPARAPPARGPPARD
Trifluoroacetic Acid SCHEMBL6495816 0.91 SHMT1 (0.44) PPARAPPARGPPARD
SCHEMBL6504395 0.89 PPARA (0.37) PPARAPPARGPPARDRHOCRHOA
Trifluoroacetic Acid SCHEMBL6505587 0.88 PPARA (0.38) PPARAPPARGPPARD
Trifluoroacetic Acid SCHEMBL6503592 0.86 KDM4E (0.37) PPARAPPARGPPARDGAA
Trifluoroacetic Acid SCHEMBL6499170 0.84 ADORA2A (0.39) PPARAPPARGPPARD
SCHEMBL6498709 0.83 CDK2 (0.34) PPARAPPARDRHOCRHOA

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