Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL381171

O=C(O)C(F)(F)F.O=C1C(Cc2c(Cl)cc(-c3ccccc3C(F)(F)F)cc2Cl)CCN1C1CCNCC1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HSD11B1 P28845 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
CHRM1 P11229 2/20 0.35
PLAT P00750 1/20 0.34
CYP27A1 Q02318 1/20 0.34
CYP24A1 Q07973 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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 SCHEMBL381484 0.85 P2RY14 (0.37) P2RX7HSD11B1DPP4DPP7PLAT
Trifluoroacetic Acid SCHEMBL381532 0.85 PRCP (0.38) HTR2AHTR2CHSD11B1DPP4DPP7
Trifluoroacetic Acid SCHEMBL380865 0.84 S1PR5 (0.38) P2RX7HSD11B1PLATCHRM3
Trifluoroacetic Acid SCHEMBL381380 0.84 TP53 (0.39) P2RX7HSD11B1DPP4DPP7CHRM1
SCHEMBL13031202 0.82 TP53 (0.42) P2RX7L3MBTL1TP53
SCHEMBL380467 0.82 TP53 (0.42) P2RX7L3MBTL1TP53
SCHEMBL381546 0.82 LMNA (0.42) P2RX7HSD11B1DPP4DPP7CYP27A1
SCHEMBL13031216 0.82 LMNA (0.42) P2RX7HSD11B1DPP4DPP7CYP27A1
Trifluoroacetic Acid SCHEMBL381863 0.82 AKR1C2 (0.41) HTR2CHSD11B1CHRM1CHRM2CHRM5
Trifluoroacetic Acid SCHEMBL381517 0.82 PAX8 (0.35) HSD11B1DPP4DPP7UTS2RCHRM1

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
EP-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP disclosed