Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5593236

CC(C)CN(NC(=O)c1cccc(CN2CCC(N3CCOCC3)CC2)c1)c1nc(C#N)ncc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
ACVR1 Q04771 4/20 0.41
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
CXCR3 P49682 5/20 0.40
ACKR3 P25106 3/20 0.38
TRPV4 Q9HBA0 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK14 O94921 1/20 0.36
CCNY Q8ND76 1/20 0.36
SLC2A1 P11166 1/20 0.36
ABL1 P00519 1/20 0.36

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 SCHEMBL5308534 0.93 CTSL (0.57) CTSLCTSBCTSSCTSKACVR1
Trifluoroacetic Acid SCHEMBL5592810 0.90 CTSL (0.53) CTSLCTSBCTSSCTSKACKR3
Trifluoroacetic Acid SCHEMBL5592940 0.89 CTSL (0.48) CTSLCTSBCTSSCTSKACVR1
Trifluoroacetic Acid SCHEMBL5592919 0.89 CTSL (0.52) CTSLCTSBCTSSCTSKACKR3
SCHEMBL5593202 0.89 CTSL (0.54) CTSLCTSBCTSSCTSKCXCR3
Trifluoroacetic Acid SCHEMBL5592876 0.89 CTSL (0.55) CTSLCTSBCTSSCTSKACKR3
SCHEMBL8244881 0.89 CTSL (0.58) CTSLCTSBCTSSCTSKACKR3
SCHEMBL8236804 0.88 CTSS (0.61) CTSLCTSBCTSSCTSKCXCR3
Trifluoroacetic Acid SCHEMBL5593235 0.88 CTSL (0.55) CTSLCTSBCTSSCTSKACKR3
SCHEMBL5592623 0.88 CTSL (0.62) CTSLCTSBCTSSCTSKACVR1

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-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO claimed