Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9009502

Nc1ccc(C#Cc2ccc3c(c2)C(=O)N(CCC(=O)O)CC(=O)N3Cc2ccc(Cl)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.51
ITGA2B P08514 6/20 0.51
MDM2 Q00987 4/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.36
FFAR1 O14842 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
ITGA2 P17301 2/20 0.34
SLC5A2 P31639 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL7363241 0.91 ITGB3 (0.66) ITGB3ITGA2BMDM2ITGA2HDAC1
SCHEMBL9009507 0.88 ITGB3 (0.42) ITGB3ITGA2BMDM2PTGDR2ALDH1A1
SCHEMBL8837116 0.85 ITGB3 (0.72) ITGB3ITGA2BMDM2PTGDR2HDAC1
SCHEMBL7363160 0.81 ITGB3 (0.61) ITGB3ITGA2BMDM2PTGDR2KDM4E
Trifluoroacetic Acid SCHEMBL8959450 0.80 ITGB3 (0.66) ITGB3ITGA2BFFAR1
Trifluoroacetic Acid SCHEMBL8959426 0.80 ITGB3 (0.51) ITGB3ITGA2BPTGDR2ITGA2HDAC1
Trifluoroacetic Acid SCHEMBL7325747 0.79 ITGB3 (0.68) ITGB3ITGA2BFFAR1KDM4EITGA2
SCHEMBL7363243 0.79 ITGB3 (0.55) ITGB3ITGA2BALDH1A1HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL7325169 0.78 ITGB3 (0.73) ITGB3ITGA2BKDM4EITGA2
Trifluoroacetic Acid SCHEMBL7325545 0.77 ITGB3 (0.55) ITGB3ITGA2B

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
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed