Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7437664

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.44
▸ NPY1R P25929 6/20 0.44
▸ NPY2R P49146 4/20 0.44
▸ NPY5R Q15761 4/20 0.44
▸ BACE1 P56817 3/20 0.38
▸ CTSD P07339 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ BACE2 Q9Y5Z0 1/20 0.37
▸ ENPEP Q07075 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
SCHEMBL7306013 0.94 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL30797917 0.94 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL29407224 0.90 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL30905096 0.88 BACE1 (0.45) NPY4RNPY1RNPY2RNPY5RBACE1
Thymocartin SCHEMBL443972 0.87 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RBACE1
Trifluoroacetic Acid SCHEMBL9614816 0.86 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL30779710 0.86 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL29560353 0.85 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL320943 0.85 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29532212 0.85 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 — — EP disclosed
US-5332726-A Anticoagulant RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-26 — — US disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 — — EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 — — WO disclosed