Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7344932

CC(C)(C)OC(=O)CN1CCC(N2CCN(c3ccc(C(=N)N)cn3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.49

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
ALOX15 P16050 1/20 0.48
HRH3 Q9Y5N1 6/20 0.44
UBE2T Q9NPD8 1/20 0.42
CXCR3 P49682 1/20 0.40
HDAC1 Q13547 1/20 0.39
HPGDS O60760 4/20 0.38
KDM4E B2RXH2 2/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
ADRA1A P35348 1/20 0.37
PPARD Q03181 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7346577 0.95 ITGB3 (0.52) ITGB3ITGA2BALOX15HRH3UBE2T
Trifluoroacetic Acid SCHEMBL7339460 0.89 ITGB3 (0.63) ITGB3ITGA2BALOX15HRH3UBE2T
SCHEMBL7339480 0.86 ITGB3 (0.50) ITGB3ITGA2BALOX15HRH3UBE2T
Trifluoroacetic Acid SCHEMBL7339240 0.84 ITGB3 (0.51) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7342470 0.84 HRH3 (0.44) ITGB3ITGA2BALOX15HRH3CXCR3
SCHEMBL7342461 0.84 HRH3 (0.44) ITGB3ITGA2BALOX15HRH3CXCR3
Trifluoroacetic Acid SCHEMBL7344936 0.84 PPARG (0.36) ITGB3ITGA2BALOX15HRH3CXCR3
Trifluoroacetic Acid SCHEMBL7342136 0.83 ITGB3 (0.49) ITGB3ITGA2BALOX15HRH3KDM4E
Trifluoroacetic Acid SCHEMBL7339516 0.83 ITGB3 (0.49) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7345703 0.82 ITGB3 (0.71) ITGB3ITGA2BALOX15HRH3UBE2T

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