Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7344936

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

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
HRH3 Q9Y5N1 5/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ABL1 P00519 1/20 0.35
LMNA P02545 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7346600 0.95 MEN1 (0.37) HRH3HPGDSMN1; SMN2KDM4EABL1
Trifluoroacetic Acid SCHEMBL7339489 0.89 ITGB3 (0.45) HRH3DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL7339244 0.85 KDM4E (0.40) SMN1; SMN2KDM4EITGB3ITGA2BMEN1
Trifluoroacetic Acid SCHEMBL7342139 0.84 ITGB3 (0.40) PPARDPPARAHRH3SMN1; SMN2KDM4E
Trifluoroacetic Acid SCHEMBL7339521 0.84 KDM4E (0.39) SMN1; SMN2KDM4EITGB3ITGA2BMEN1
Trifluoroacetic Acid SCHEMBL7344932 0.84 ITGB3 (0.49) PPARGPPARDPPARAHRH3KDM4E
SCHEMBL7345723 0.83 ITGB3 (0.49) HRH3KDM4EABL1LMNAITGB3
Trifluoroacetic Acid SCHEMBL7334117 0.83 MEN1 (0.36) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL7345353 0.82 ITGB3 (0.47) HRH3HPGDSMN1; SMN2KDM4EITGB3
SCHEMBL7343064 0.79 GAA (0.39) SMN1; SMN2KDM4EITGB3ITGA2BMEN1

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