Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3645537

CNC(=O)Oc1cc(C[C@H](NC(=O)C(N)Cc2ccc(O)c(O)c2)C(=O)OC)ccc1OC(C)=O.O=C(O)C(F)(F)F

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.44
▸ OPRK1 P41145 3/20 0.41
▸ ERAP2 Q6P179 2/20 0.39
▸ LNPEP Q9UIQ6 2/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ YARS1 P54577 1/20 0.39
▸ SLC7A5 Q01650 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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 SCHEMBL3639104 1.00 LCK (0.44) LCKOPRK1ERAP2LNPEPERAP1
SCHEMBL12083525 0.94 LCK (0.49) LCKOPRK1ERAP2LNPEPERAP1
SCHEMBL3733282 0.87 LCK (0.53) LCKOPRK1ERAP2LNPEPERAP1
SCHEMBL3801519 0.87 LCK (0.53) LCKOPRK1ERAP2LNPEPERAP1
SCHEMBL8093509 0.87 LCK (0.53) LCKOPRK1ERAP2LNPEPERAP1
Hydrochloric Acid SCHEMBL3729333 0.86 LCK (0.52) LCKOPRK1ERAP2LNPEPERAP1
Hydrochloric Acid SCHEMBL3640073 0.86 LCK (0.52) LCKOPRK1ERAP2LNPEPERAP1
Hydrochloric Acid SCHEMBL3746967 0.86 LCK (0.52) LCKOPRK1ERAP2LNPEPERAP1
SCHEMBL1069987 0.83 OPRK1 (0.49) LCKOPRK1ERAP2LNPEPERAP1
SCHEMBL22290230 0.83 OPRK1 (0.49) LCKOPRK1ERAP2LNPEPERAP1

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-2176217-A1 AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2010-04-21 — — EP disclosed
WO-2009007696-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2009-01-15 — — WO disclosed
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