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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5335979

CC(C)OC(=O)c1ccc(NC(=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 16/20 0.51
▸ CHRM3 P20309 14/20 0.51
▸ CHRM1 P11229 14/20 0.49
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ LNPEP Q9UIQ6 2/20 0.45
▸ ERAP2 Q6P179 1/20 0.45

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
SCHEMBL5335986 0.89 CHRM2 (0.44) CHRM2CHRM3CHRM1
Trifluoroacetic Acid SCHEMBL5331362 0.87 NAMPT (0.46) CHRM2CHRM3CHRM1LNPEPERAP2
SCHEMBL5331370 0.76 NAMPT (0.42) CHRM2CHRM3CHRM1LNPEPERAP2
SCHEMBL5335982 0.71 CHRM2 (0.52) CHRM2CHRM3CHRM1
SCHEMBL4127725 0.71 RAB9A (0.60) CHRM2CHRM3CA12CA1CA2
SCHEMBL2903186 0.69 BACE1 (0.58) LNPEPERAP2
SCHEMBL24513853 0.68 LNPEP (0.50) CA12CA1CA2CA9LNPEP
SCHEMBL29145378 0.68 LNPEP (0.50) CA12CA1CA2CA9LNPEP
SCHEMBL4122707 0.68 NPC1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL468900 0.68 SLC7A5 (0.61) LNPEPERAP2

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-2007018508-A1 NOVEL M3 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-15 — — WO disclosed