Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7733845

NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)C(O)c1nc2cc(Cl)ccc2o1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 1/20 0.35
METAP2 P50579 2/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RY14 Q15391 3/20 0.34
CETP P11597 2/20 0.34
XDH P47989 1/20 0.34
MASP2 O00187 1/20 0.34
F2 P00734 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
CASR P41180 1/20 0.33
HDAC1 Q13547 1/20 0.33
MME P08473 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
CTSC P53634 1/20 0.33

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
SCHEMBL7732452 0.95 LMNA (0.42) LMNAKMT2AMMP2METAP2TP53
Trifluoroacetic Acid SCHEMBL7731111 0.90 MMP2 (0.38) MMP2HDAC8HDAC1ERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7732038 0.89 CTSL (0.41) MMP2ERAP2ERAP1LNPEPCTSC
Trifluoroacetic Acid SCHEMBL7734181 0.89 OPRK1 (0.37) MMP2METAP2ERAP2ERAP1LNPEP
SCHEMBL7733848 0.87 LMNA (0.38) LMNAKMT2ATP53SMN1; SMN2P2RY14
SCHEMBL7723243 0.85 CTSL (0.43) MMP2METAP2ERAP2ERAP1LNPEP
SCHEMBL7730106 0.83 CTSC (0.38) MMP2METAP2TP53SMN1; SMN2ERAP2
Trifluoroacetic Acid SCHEMBL7731949 0.83 FAAH (0.40) MMP2ERAP2ERAP1LNPEPCTSC
SCHEMBL7733852 0.78 LMNA (0.37) LMNAKMT2AMETAP2TP53SMN1; SMN2
SCHEMBL7731113 0.77 PRSS8 (0.34) MMP2XDHHDAC8HDAC1ERAP2

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-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed