Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7342136

CC(C)(C)OC(=O)CN1CCC(N2CCN(c3ccc(C(=N)N)nc3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.49

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
ALOX15 P16050 1/20 0.48
HRH3 Q9Y5N1 5/20 0.41
AOC3 Q16853 5/20 0.38
SLC2A1 P11166 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 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
SCHEMBL7345105 0.95 ITGB3 (0.52) ITGB3ITGA2BALOX15HRH3AOC3
SCHEMBL7344852 0.86 ITGB3 (0.45) ITGB3ITGA2BALOX15HRH3AOC3
Trifluoroacetic Acid SCHEMBL7342139 0.83 ITGB3 (0.40) ITGB3ITGA2BALOX15HRH3AOC3
Trifluoroacetic Acid SCHEMBL7344932 0.83 ITGB3 (0.49) ITGB3ITGA2BALOX15HRH3KDM4E
SCHEMBL7344590 0.82 ITGB3 (0.71) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL7345347 0.81 ITGB3 (0.71) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7299584 0.80 HRH3 (0.42) ITGB3ITGA2BALOX15HRH3AOC3
Trifluoroacetic Acid SCHEMBL7339516 0.80 ITGB3 (0.49) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7339240 0.79 ITGB3 (0.51) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7336077 0.78 ITGB3 (0.49) ITGB3ITGA2BALOX15HRH3MEN1

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