Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL380699

CC(C)Oc1ccc(-c2cc(Cl)c(C[C@@H]3CCN(C4CCNCC4)C3=O)c(Cl)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.35

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.35
MBTPS1 Q14703 1/20 0.34
ATM Q13315 1/20 0.34
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
DPP9 Q86TI2 1/20 0.34
PTGDR Q13258 1/20 0.34
HTR2A P28223 4/20 0.34
GPR88 Q9GZN0 1/20 0.34

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 SCHEMBL381380 0.90 TP53 (0.39) ATMDPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL381863 0.89 AKR1C2 (0.41) FFAR4
Trifluoroacetic Acid SCHEMBL381532 0.89 PRCP (0.38) DPP4DPP8DPP7DPP9HTR2A
Trifluoroacetic Acid SCHEMBL381484 0.87 P2RY14 (0.37) DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL381517 0.85 PAX8 (0.35) DPP4DPP8DPP7DPP9
SCHEMBL3563833 0.83 AKR1C2 (0.38) HTR2A
SCHEMBL3563830 0.83 AKR1C2 (0.38) HTR2A
SCHEMBL381598 0.82 TP53 (0.43) DPP4
SCHEMBL381599 0.82 TP53 (0.43) DPP4
SCHEMBL13031220 0.82 HTR2A (0.35) FFAR4PTGDRHTR2A

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-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP disclosed
US-7829582-B2 Piperidinyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-11-09 US disclosed