Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7780339

C[C@@H](NC(c1ccc(F)cc1)c1cccc(Nc2c(O)c(=O)c2=O)c1)c1cccc(F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.42
MTOR P42345 1/20 0.37
CXCR2 P25025 5/20 0.36
CXCR1 P25024 2/20 0.36
TEAD4 Q15561 2/20 0.35
MAPK14 Q16539 1/20 0.35
PTGER4 P35408 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
KCNK3 O14649 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
SCHEMBL7785614 0.93 MAPKAPK2 (0.42) MAPKAPK2MTORCXCR2CXCR1TEAD4
SCHEMBL7785305 0.93 MAPKAPK2 (0.42) MAPKAPK2MTORCXCR2CXCR1TEAD4
Hydrochloric Acid SCHEMBL7780386 0.92 MAPKAPK2 (0.41) MAPKAPK2MTORCXCR2CXCR1TEAD4
SCHEMBL7787894 0.90 MAPKAPK2 (0.47) MAPKAPK2MTORCXCR2CXCR1TEAD4
Hydrochloric Acid SCHEMBL7785463 0.89 MAPKAPK2 (0.46) MAPKAPK2MTORCXCR2CXCR1TEAD4
SCHEMBL7785292 0.88 MAPKAPK2 (0.45) MAPKAPK2MTORTEAD4MAPK14PTGER4
SCHEMBL7787572 0.88 MAPKAPK2 (0.41) MAPKAPK2MTORCXCR2CXCR1TEAD4
Hydrochloric Acid SCHEMBL7780496 0.87 MAPKAPK2 (0.44) MAPKAPK2MTORTEAD4MAPK14PTGER4
SCHEMBL7785267 0.87 MAPKAPK2 (0.38) MAPKAPK2CXCR2TEAD4MAPK14
SCHEMBL7805555 0.87 MAPKAPK2 (0.38) MAPKAPK2CXCR2TEAD4MAPK14

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