Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7785571

CSc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cccc(Nc3c(O)c(=O)c3=O)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.35

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.35
CXCR2 P25025 8/20 0.34
MAPK14 Q16539 1/20 0.34
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CXCR1 P25024 1/20 0.32
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL7785252 0.88 MAPKAPK2 (0.40) MAPKAPK2CXCR2MAPK14
Hydrochloric Acid SCHEMBL7785103 0.87 MAPKAPK2 (0.40) MAPKAPK2CXCR2MAPK14
SCHEMBL7802226 0.85 MAPKAPK2 (0.34) MAPKAPK2MAPK14HSD17B1HSD17B2
Trifluoroacetic Acid SCHEMBL7802224 0.85 CXCR2 (0.38) CXCR2CXCR1
SCHEMBL7780735 0.85 MAPKAPK2 (0.38) MAPKAPK2CXCR2MAPK14
SCHEMBL7789434 0.85 MAPKAPK2 (0.38) MAPKAPK2CXCR2MAPK14
Trifluoroacetic Acid SCHEMBL7780339 0.84 MAPKAPK2 (0.42) MAPKAPK2CXCR2MAPK14CXCR1DPP4
Trifluoroacetic Acid SCHEMBL7787645 0.84 MAPKAPK2 (0.36) MAPKAPK2CXCR2MAPK14CXCR1
Hydrochloric Acid SCHEMBL7803654 0.84 MAPKAPK2 (0.37) MAPKAPK2CXCR2MAPK14
SCHEMBL7801400 0.84 S1PR3 (0.38) MAPKAPK2CXCR2MAPK14

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed