Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9614799

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(C)(C)CCCCCCNC(=N)N)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
NPY4R P50391 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
PTPN1 P18031 1/20 0.31
S1PR1 P21453 4/20 0.31
S1PR3 Q99500 4/20 0.31
S1PR2 O95136 3/20 0.31
S1PR5 Q9H228 3/20 0.31
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 0.30
PRSS1 P07477 1/20 0.30
TMPRSS15 P98073 1/20 0.30
EPHX2 P34913 1/20 0.30
CASP3 P42574 1/20 0.30

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 SCHEMBL9614815 0.85 NPY4R (0.49) ITGB1ITGA4NPY4RPTPN1ITGB3
Trifluoroacetic Acid SCHEMBL9614806 0.85 NPY4R (0.49) ITGB1ITGA4NPY4RPTPN1ITGB3
Trifluoroacetic Acid SCHEMBL9614791 0.85 NPY4R (0.49) ITGB1ITGA4NPY4RPTPN1ITGB3
Trifluoroacetic Acid SCHEMBL9614803 0.84 NPY4R (0.48) ITGB1ITGA4NPY4RSMN1; SMN2PTPN1
Trifluoroacetic Acid SCHEMBL9756339 0.84 NPY4R (0.40) ITGB1ITGA4NPY4RSMN1; SMN2
Trifluoroacetic Acid SCHEMBL7437664 0.82 NPY4R (0.44) ITGB1ITGA4NPY4R
Trifluoroacetic Acid SCHEMBL9614812 0.81 ITGB1 (0.37) ITGB1ITGA4NPY4RSMN1; SMN2EPHX2
Trifluoroacetic Acid SCHEMBL9614798 0.80 EPHX2 (0.41) ITGB1ITGA4NPY4RSMN1; SMN2PTPN1
SCHEMBL7442799 0.79 EPHX2 (0.46) NPY4RSMN1; SMN2ITGB3ITGA2BEPHX2
SCHEMBL7438925 0.79 EPHX2 (0.46) NPY4RSMN1; SMN2ITGB3ITGA2BEPHX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP claimed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP claimed
EP-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP disclosed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP disclosed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO disclosed