Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7731111

NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)C(O)c1nc2ccccc2o1.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
PTPN1 P18031 7/20 0.37
PTPN2 P17706 4/20 0.37
FAAH O00519 1/20 0.36
CES1 P23141 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
CTSC P53634 2/20 0.35
PRSS8 Q16651 2/20 0.35
GART P22102 1/20 0.35
CTSL P07711 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 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
Trifluoroacetic Acid SCHEMBL7733845 0.90 LMNA (0.39) MMP2CTSCHDAC1HDAC8ERAP2
Trifluoroacetic Acid SCHEMBL7734181 0.90 OPRK1 (0.37) MMP2CTSCCTSLERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7732038 0.89 CTSL (0.41) MMP2PTPN1PTPN2CTSCCTSL
Trifluoroacetic Acid SCHEMBL7731949 0.88 FAAH (0.40) MMP2FAAHCES1DAGLACTSC
SCHEMBL7731113 0.86 PRSS8 (0.34) MMP2PTPN1PTPN2FAAHCES1
SCHEMBL7732452 0.84 LMNA (0.42) MMP2CTSCHDAC1HDAC8ERAP2
SCHEMBL7730106 0.84 CTSC (0.38) MMP2CTSCERAP2ERAP1LNPEP
SCHEMBL7723243 0.84 CTSL (0.43) MMP2PTPN1PTPN2CTSCCTSL
Trifluoroacetic Acid SCHEMBL7723157 0.81 HPGD (0.39) MMP2CTSCHDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL7734124 0.81 CYP1A2 (0.42) MMP2PTPN1DAGLAHDAC3HDAC4

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