Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7528381

CN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)N(CCCc5ccccc5)C(=O)c5nc6ccccc6o5)CCCCC4)cc3)cs2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 16/20 0.50
CTSS P25774 16/20 0.50
CTSL P07711 15/20 0.50
CTSK P43235 4/20 0.50
LMNA P02545 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
SCHEMBL7535431 0.96 CTSB (0.53) CTSBCTSSCTSLCTSKLMNA
SCHEMBL7531250 0.90 CTSB (0.55) CTSBCTSSCTSLCTSK
SCHEMBL7528310 0.89 CTSB (0.55) CTSBCTSSCTSLCTSK
SCHEMBL7528383 0.87 CTSK (0.37) CTSBCTSSCTSLCTSKLMNA
SCHEMBL7531252 0.77 CTSB (0.63) CTSBCTSSCTSLCTSK
SCHEMBL7528316 0.77 CTSB (0.62) CTSBCTSSCTSLCTSK
SCHEMBL7533780 0.76 CTSB (0.57) CTSBCTSSCTSLCTSK
SCHEMBL7532628 0.75 CTSB (0.58) CTSBCTSSCTSLCTSK
SCHEMBL7529882 0.75 CTSB (0.57) CTSBCTSSCTSLCTSKLMNA
SCHEMBL1841224 0.74 CTSB (0.63) CTSBCTSSCTSLCTSKLMNA

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
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed