Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5592844

CCCN(CCC)CCCN1CCN(Cc2ccc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Cl)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.61

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.61
CTSS P25774 3/20 0.61
CTSK P43235 3/20 0.61
CTSB P07858 2/20 0.61
EGFR P00533 2/20 0.34
TBK1 Q9UHD2 6/20 0.33
GPR6 P46095 1/20 0.33
CSF1R P07333 1/20 0.33
IKBKE Q14164 5/20 0.33
CHRM2 P08172 1/20 0.33
SLC2A1 P11166 3/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
AVPR1A P37288 1/20 0.31

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
SCHEMBL8243570 0.95 CTSL (0.67) CTSLCTSSCTSKCTSBEGFR
Trifluoroacetic Acid SCHEMBL5593186 0.92 CTSL (0.59) CTSLCTSSCTSKCTSBEGFR
Trifluoroacetic Acid SCHEMBL5592680 0.91 CTSS (0.64) CTSLCTSSCTSKCTSBEGFR
SCHEMBL8243798 0.91 CTSL (0.67) CTSLCTSSCTSKCTSBEGFR
SCHEMBL8245157 0.91 CTSL (0.69) CTSLCTSSCTSKCTSBEGFR
Trifluoroacetic Acid SCHEMBL5592881 0.90 CTSL (0.66) CTSLCTSSCTSKCTSBEGFR
Trifluoroacetic Acid SCHEMBL5592743 0.90 CTSL (0.62) CTSLCTSSCTSKCTSBHDAC4
Trifluoroacetic Acid SCHEMBL5592612 0.89 CTSL (0.65) CTSLCTSSCTSKCTSBTBK1
Trifluoroacetic Acid SCHEMBL5592679 0.88 CTSL (0.60) CTSLCTSSCTSKCTSBEGFR
Trifluoroacetic Acid SCHEMBL5592630 0.88 CTSL (0.65) CTSLCTSSCTSKCTSBGPR6

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