Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7732038

CC(C)(C)c1ccc2oc(C(O)[C@@H](CCc3ccccc3)NC(=O)[C@H](N)CCCN)nc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MMP2 P08253 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
CTSC P53634 1/20 0.33
PTPN2 P17706 2/20 0.33
PTPN1 P18031 2/20 0.33
LNPEP Q9UIQ6 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
ERAP2 Q6P179 2/20 0.32
ERAP1 Q9NZ08 2/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL7723243 0.96 CTSL (0.43) CTSLCTSBCTSSCTSKMMP2
Trifluoroacetic Acid SCHEMBL7733845 0.89 LMNA (0.39) MMP2CTSCLNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7734181 0.89 OPRK1 (0.37) CTSLCTSBMMP2CTSCLNPEP
Trifluoroacetic Acid SCHEMBL7731111 0.89 MMP2 (0.38) CTSLMMP2CTSCPTPN2PTPN1
SCHEMBL7732041 0.87 CTSL (0.39) CTSLCTSBCTSSCTSKMMP2
SCHEMBL7732452 0.84 LMNA (0.42) MMP2CTSCLNPEPERAP2ERAP1
SCHEMBL7730106 0.84 CTSC (0.38) CTSBCTSSCTSKMMP2CTSC
Trifluoroacetic Acid SCHEMBL7731949 0.81 FAAH (0.40) CTSLMMP2CTSCLNPEPERAP2
SCHEMBL7732434 0.78 CTSL (0.43) CTSLCTSBCTSSCTSKNPC1
SCHEMBL7732045 0.78 CTSL (0.36) CTSLCTSBCTSSCTSKPTPN2

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