Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7348672

CCOC(=O)[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
EPHX2 P34913 5/20 0.48
PPARG P37231 5/20 0.48
CTSS P25774 4/20 0.48
CTSK P43235 4/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ATM Q13315 1/20 0.47
MMP8 P22894 1/20 0.44
REN P00797 1/20 0.44
ACE P12821 1/20 0.44
IDO1 P14902 1/20 0.44
PTPRB P23467 1/20 0.43
AKT1 P31749 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL1185840 0.95 SYK (0.57) SYKEPHX2PPARGCTSSCTSK
SCHEMBL2799915 0.86 EPHX2 (0.59) SYKEPHX2PPARG
SCHEMBL13816316 0.85 SYK (0.56) SYKCTSSCTSKCTSLCTSB
SCHEMBL4769213 0.85 SYK (0.54) SYKEPHX2PPARGCTSSCTSK
SCHEMBL21974545 0.84 SYK (0.56) SYKPPARGCTSSCTSKCTSL
SCHEMBL17592938 0.84 CTSS (0.49) SYKEPHX2PPARGCTSSCTSK
SCHEMBL23699326 0.82 EPHX2 (0.56) EPHX2PPARGATMMMP8
SCHEMBL825959 0.82 ATM (0.55) SYKCTSSCTSKCTSLCTSB
SCHEMBL1186455 0.82 ATM (0.55) SYKCTSSCTSKCTSLCTSB
SCHEMBL3825012 0.82 ATM (0.55) SYKCTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed