Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7430442

NC(=O)c1ccc2c(c1)N(C(=O)COCc1ccccc1)CC2.NCc1cccc(N(CC(=O)O)C(=O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.38
OPRM1 P35372 5/20 0.34
OPRD1 P41143 5/20 0.34
MAPT P10636 3/20 0.34
FOLH1 Q04609 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ROCK1 Q13464 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.33
OPRK1 P41145 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM5 P41594 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
Trifluoroacetic Acid SCHEMBL5215499 0.96 RIPK1 (0.38) RIPK1OPRM1OPRD1MAPTFOLH1
Trifluoroacetic Acid SCHEMBL8041708 0.88 RIPK1 (0.37) RIPK1OPRM1OPRD1ALDH1A1ROCK1
Trifluoroacetic Acid SCHEMBL7433118 0.87 RIPK1 (0.39) RIPK1ALDH1A1ROCK1F2F10
Trifluoroacetic Acid SCHEMBL5208180 0.87 RIPK1 (0.42) RIPK1MAPTFOLH1ALDH1A1RAB9A
Trifluoroacetic Acid SCHEMBL5212450 0.87 RIPK1 (0.39) RIPK1OPRM1OPRD1MAPTFOLH1
Trifluoroacetic Acid SCHEMBL7425564 0.86 RIPK1 (0.36) RIPK1OPRM1OPRD1ALDH1A1ROCK1
SCHEMBL7427969 0.86 ALDH1A1 (0.46) RIPK1OPRM1OPRD1MAPTALDH1A1
SCHEMBL7428011 0.86 ALDH1A1 (0.39) RIPK1OPRM1OPRD1MAPTALDH1A1
Trifluoroacetic Acid SCHEMBL5210860 0.86 RIPK1 (0.42) RIPK1MAPTFOLH1ALDH1A1RAB9A
Trifluoroacetic Acid SCHEMBL7432346 0.85 RIPK1 (0.37) RIPK1OPRM1OPRD1ALDH1A1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed