Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7154778

COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4cc(C(=N)N)ccc4c3)c(-c3cc4ccccc4cc3C(=O)O)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 4/20 0.46
F2 P00734 5/20 0.45
ALDH1A1 P00352 2/20 0.43
F3 P13726 3/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
F10 P00742 1/20 0.42
F7 P08709 1/20 0.42
TMPRSS6 Q8IU80 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MCL1 Q07820 1/20 0.40
PGR P06401 1/20 0.39

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
SCHEMBL6294964 0.95 F2 (0.48) PLA2G7F2ALDH1A1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7158686 0.93 F2 (0.45) PLA2G7F2ALDH1A1F3PRSS1
Trifluoroacetic Acid SCHEMBL7155325 0.93 F2 (0.47) PLA2G7F2ALDH1A1F3PRSS1
Trifluoroacetic Acid SCHEMBL7151193 0.93 PRSS1 (0.51) PLA2G7F2ALDH1A1F3PRSS1
SCHEMBL7154784 0.90 PLA2G7 (0.45) PLA2G7F2ALDH1A1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6300737 0.89 BRD4 (0.45) F2F3F10F7TMPRSS6
SCHEMBL6300651 0.89 PRSS1 (0.51) PLA2G7F2ALDH1A1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7153927 0.89 F2 (0.49) PLA2G7F2ALDH1A1F3PRSS1
SCHEMBL6294700 0.88 PRSS1 (0.55) PLA2G7F2ALDH1A1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6294978 0.88 F2 (0.49) PLA2G7F2ALDH1A1F3PRSS1

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
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed