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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3170178

CC(C)c1cccc(C(C)C)c1OC(=O)CCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CAPN1 P07384 1/20 0.39
▸ BACE1 P56817 3/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ AKT1 P31749 1/20 0.38

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
SCHEMBL3160634 0.82 CA1 (0.45) CA2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3166847 0.82 CYP3A4 (0.35) —
Trifluoroacetic Acid SCHEMBL3267358 0.77 LTA4H (0.43) —
Trifluoroacetic Acid SCHEMBL3180413 0.77 S1PR1 (0.37) —
SCHEMBL23299326 0.77 KLK5 (0.41) CA2CTSSCTSK
SCHEMBL22960908 0.75 CTSK (0.59) CA2CTSSCTSKCAPN1BRD4
SCHEMBL3167592 0.74 — —
SCHEMBL22960914 0.74 CTSK (0.64) CA2CTSSCTSKMEN1KMT2A
SCHEMBL28778606 0.74 CTSK (0.64) CA2CTSSCTSKMEN1KMT2A
SCHEMBL22960911 0.74 CTSK (0.54) CA2CTSSCTSKCAPN1BRD4

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-7645792-B2 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2010-01-12 — — US disclosed