Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7339489

NN=Cc1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
HSD11B1 P28845 4/20 0.38
CXCR3 P49682 1/20 0.37
KCNH2 Q12809 1/20 0.37
DGAT1 O75907 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HPGDS O60760 3/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL7345723 0.94 ITGB3 (0.49) ITGB3ITGA2BALOX15KDM4EABL1
Trifluoroacetic Acid SCHEMBL7344936 0.89 PPARG (0.36) ITGB3ITGA2BALOX15KDM4EABL1
Trifluoroacetic Acid SCHEMBL7336173 0.86 ITGB3 (0.58) ITGB3ITGA2BALOX15KDM4EHRH3
SCHEMBL7346600 0.82 MEN1 (0.37) ITGB3ITGA2BALOX15KDM4EABL1
Trifluoroacetic Acid SCHEMBL7339460 0.82 ITGB3 (0.63) ITGB3ITGA2BALOX15KDM4EABL1
Trifluoroacetic Acid SCHEMBL7347549 0.81 ITGB3 (0.43) ITGB3ITGA2BALOX15KDM4E
Trifluoroacetic Acid SCHEMBL7342491 0.81 ITGB3 (0.41) ITGB3ITGA2BALOX15KDM4E
SCHEMBL6839450 0.80 ITGB3 (0.65) ITGB3ITGA2BALOX15KDM4EHRH3
Methane SCHEMBL7337948 0.79 ITGB3 (0.64) ITGB3ITGA2BALOX15KDM4EHRH3
Hydrochloric Acid SCHEMBL8431413 0.78 ALOX15 (0.64) ITGB3ITGA2BALOX15KDM4EHRH3

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
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed