Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7342139

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

nearest known ligand 0.40

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
HRH3 Q9Y5N1 5/20 0.33
GPR119 Q8TDV5 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
AOC3 Q16853 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL7345122 0.95 ITGB3 (0.41) ITGB3ITGA2BALOX15WNT1GSK3B
Trifluoroacetic Acid SCHEMBL7344936 0.84 PPARG (0.36) ITGB3ITGA2BALOX15ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL7342136 0.83 ITGB3 (0.49) ITGB3ITGA2BALOX15ALDH1A1KDM4E
SCHEMBL7344621 0.83 ITGB3 (0.56) ITGB3ITGA2BALOX15ALDH1A1KDM4E
SCHEMBL7345353 0.81 ITGB3 (0.47) ITGB3ITGA2BALOX15ALDH1A1KDM4E
SCHEMBL7299587 0.81 HRH3 (0.36) HRH3GPR119KMT2AMEN1AOC3
Trifluoroacetic Acid SCHEMBL7339244 0.79 KDM4E (0.40) ITGB3ITGA2BALOX15ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL7339521 0.79 KDM4E (0.39) ITGB3ITGA2BALOX15ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL7341382 0.78 ITGB3 (0.46) ITGB3ITGA2BALOX15ALDH1A1KDM4E
SCHEMBL7346600 0.78 MEN1 (0.37) ITGB3ITGA2BALOX15KDM4EWNT1

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