Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7340661

N=C(NC(=O)c1ccccc1)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.61

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
ALOX15 P16050 1/20 0.60
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HIF1A Q16665 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ESRRG P62508 5/20 0.38
ESR1 P03372 4/20 0.38
ESRRB O95718 3/20 0.38
ESRRA P11474 2/20 0.38
ALOX5 P09917 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7337962 0.94 ITGB3 (0.68) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7345194 0.88 ITGB3 (0.62) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7340673 0.88 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7340646 0.85 ITGB3 (0.63) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7310389 0.84 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7344004 0.84 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7334802 0.83 ITGB3 (0.87) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL9368133 0.82 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7346154 0.82 ITGB3 (0.67) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7334894 0.81 ITGB3 (0.69) ITGB3ITGA2BALOX15KDM4EALDH1A1

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