Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7336173

NN=Cc1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.58
ITGA2B P08514 2/20 0.58
ALOX15 P16050 1/20 0.57
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6839450 0.94 ITGB3 (0.65) ITGB3ITGA2BALOX15HRH3KMT2A
Methane SCHEMBL7337948 0.93 ITGB3 (0.64) ITGB3ITGA2BALOX15HRH3KMT2A
Hydrochloric Acid SCHEMBL8431413 0.92 ALOX15 (0.64) ITGB3ITGA2BALOX15HRH3KMT2A
Trifluoroacetic Acid SCHEMBL7341382 0.89 ITGB3 (0.46) ITGB3ITGA2BALOX15HRH3KMT2A
Trifluoroacetic Acid SCHEMBL7339489 0.86 ITGB3 (0.45) ITGB3ITGA2BALOX15HRH3KDM4E
Trifluoroacetic Acid SCHEMBL7342491 0.86 ITGB3 (0.41) ITGB3ITGA2BALOX15ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL9372102 0.85 ITGB3 (0.41) ITGB3ITGA2BALOX15ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL9372072 0.85 ITGB3 (0.41) ITGB3ITGA2BALOX15ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL7347549 0.85 ITGB3 (0.43) ITGB3ITGA2BALOX15KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL7340671 0.83 ITGB3 (0.51) ITGB3ITGA2BALOX15KMT2AALDH1A1

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