Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6503592

Cc1sc(-c2cccs2)nc1C(=O)NCc1cc(CC(OC(C)C)C(=O)O)ccn1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
PPARA Q07869 11/20 0.35
PPARG P37231 10/20 0.35
PPARD Q03181 5/20 0.35
GPR142 Q7Z601 1/20 0.34

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 SCHEMBL6531504 0.90 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL6503597 0.89 KDM4E (0.36) KDM4EGAAALDH1A1NPC1GPR142
Trifluoroacetic Acid SCHEMBL6505042 0.87 PPARA (0.42) KDM4EALDH1A1NPC1PPARAPPARG
Trifluoroacetic Acid SCHEMBL6504387 0.86 PPARA (0.42) GAAPPARAPPARGPPARD
Trifluoroacetic Acid SCHEMBL6505587 0.85 PPARA (0.38) ALDH1A1NPC1PPARAPPARGPPARD
Trifluoroacetic Acid SCHEMBL6494737 0.85 PPARA (0.44) PPARAPPARGPPARD
Trifluoroacetic Acid SCHEMBL6499170 0.85 ADORA2A (0.39) KDM4EALDH1A1PPARAPPARGPPARD
Trifluoroacetic Acid SCHEMBL6495816 0.83 SHMT1 (0.44) KDM4EPPARAPPARGPPARD
Trifluoroacetic Acid SCHEMBL6498705 0.82 PPARA (0.37) PPARAPPARGPPARD
SCHEMBL6503260 0.82 PPARG (0.47) KDM4EGAAALDH1A1PPARAPPARG

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