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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1905698

CC(C)(O)C(=O)N[C@@H](C(=O)NCc1ccc(N)nc1)C(C1CCCCC1)C1CCCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.42
▸ CPB2 Q96IY4 4/20 0.36
▸ CPB1 P15086 2/20 0.35
▸ FURIN P09958 1/20 0.34
▸ REN P00797 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ PRCP P42785 1/20 0.34
▸ PPIB P23284 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
SCHEMBL6882736 0.95 MASP2 (0.43) MASP2CPB2CPB1FURINALDH1A1
SCHEMBL1905699 0.86 MASP2 (0.39) MASP2CPB2CPB1FURINREN
Trifluoroacetic Acid SCHEMBL1432457 0.83 MASP2 (0.43) MASP2CPB2CPB1PPIB
SCHEMBL1433675 0.83 MASP2 (0.43) MASP2CPB2CPB1FURINALDH1A1
SCHEMBL3157818 0.83 MASP2 (0.43) MASP2CPB2CPB1FURINALDH1A1
SCHEMBL1432429 0.82 CYP3A4 (0.42) MASP2RENPPIB
SCHEMBL1432393 0.80 MASP2 (0.43) MASP2CPB2CPB1PPIB
SCHEMBL1432406 0.80 MASP2 (0.43) MASP2CPB2CPB1PPIB
SCHEMBL1432186 0.80 MASP2 (0.49) MASP2CPB1REN
SCHEMBL3156538 0.80 MASP2 (0.49) MASP2CPB1REN

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
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO disclosed