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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7433732

NC(=O)c1ccc2c(c1)CCC2.NCC1CNCCC1N(CC(=O)O)C(=O)c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 6/20 0.34
▸ SLC6A4 P31645 6/20 0.34
▸ OPRM1 P35372 5/20 0.33
▸ OPRD1 P41143 5/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ ACHE P22303 2/20 0.31
▸ SLC6A3 Q01959 5/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KCNH2 Q12809 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 SCHEMBL7434362 0.81 OPRM1 (0.37) OPRM1OPRD1SMYD3F11KLKB1
Trifluoroacetic Acid SCHEMBL4810923 0.80 DCUN1D1 (0.36) SLC6A4OPRM1OPRD1ACHEKCNH2
Trifluoroacetic Acid SCHEMBL4807393 0.75 AGER (0.39) SMYD3
Trifluoroacetic Acid SCHEMBL7128376 0.74 TRPM8 (0.37) OPRM1OPRD1SMYD3CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL7430919 0.73 ALDH1A1 (0.51) SMYD3ALDH1A1
Trifluoroacetic Acid SCHEMBL7438438 0.72 ALDH1A1 (0.34) OPRM1OPRD1SMYD3ALDH1A1
Trifluoroacetic Acid SCHEMBL7426179 0.72 F2 (0.36) OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL8141928 0.71 ALDH1A1 (0.59) SMYD3ALDH1A1
Trifluoroacetic Acid SCHEMBL4803612 0.71 TPSAB1 (0.41) OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL7428560 0.71 ALDH1A1 (0.33) OPRM1OPRD1SMYD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 — — EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 — — EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 — — WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 — — WO disclosed
WO-2000077027-A2 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2000-12-21 — — WO disclosed