Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9614810

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

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
PTPN1 P18031 2/20 0.42
CASP1 P29466 1/20 0.41
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
EPHX2 P34913 4/20 0.39
CTSL P07711 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLG P00747 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
SLC6A2 P23975 1/20 0.39
RECQL P46063 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 1/20 0.39

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
SCHEMBL7441035 0.93 NMT2 (0.46) CASP1NMT2NMT1SLC6A5EPHX2
SCHEMBL7435605 0.93 NMT2 (0.46) CASP1NMT2NMT1SLC6A5EPHX2
SCHEMBL7434798 0.93 NMT2 (0.46) CASP1NMT2NMT1SLC6A5EPHX2
SCHEMBL7435642 0.93 NMT2 (0.46) CASP1NMT2NMT1SLC6A5EPHX2
SCHEMBL9439741 0.93 NMT2 (0.46) CASP1NMT2NMT1SLC6A5EPHX2
Trifluoroacetic Acid SCHEMBL7313048 0.91 ITGB1 (0.43) ITGB1ITGA4PTPN1CASP1NMT2
Trifluoroacetic Acid SCHEMBL7435083 0.86 ITGB1 (0.40) ITGB1ITGA4PTPN1
Trifluoroacetic Acid SCHEMBL9614791 0.85 NPY4R (0.49) ITGB1ITGA4PTPN1EPHX2ITGB3
Trifluoroacetic Acid SCHEMBL9614815 0.85 NPY4R (0.49) ITGB1ITGA4PTPN1EPHX2ITGB3
Trifluoroacetic Acid SCHEMBL9614806 0.85 NPY4R (0.49) ITGB1ITGA4PTPN1EPHX2ITGB3

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 6 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
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO 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