Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3652246

COc1cccc(C(=O)Nc2ccc([N+]3(C4CCNC4)CCCC3C)cc2C(F)(F)F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
RAB9A P51151 6/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
PDE4D Q08499 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3654254 0.97 EPHX2 (0.46) EPHX2RAB9AGAALMNAMAPT
Trifluoroacetic Acid SCHEMBL3657679 0.90 RAB9A (0.46) RAB9AGAALMNAMAPTNPC1
SCHEMBL3652812 0.89 PDE4D (0.40) EPHX2RAB9AGAALMNAMAPT
Trifluoroacetic Acid SCHEMBL3657528 0.86 RXFP1 (0.37) RAB9ARXFP1ALDH1A1CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL3653064 0.84 KDM4E (0.42) RAB9AGAALMNAMAPTNPC1
SCHEMBL3655451 0.83 TSHR (0.40) GAARXFP1ALDH1A1CYP2C19KMT2A
Trifluoroacetic Acid SCHEMBL3657556 0.82 HSP90AA1 (0.45) RAB9AGAALMNAMAPTRXFP1
Trifluoroacetic Acid SCHEMBL3659571 0.81 RAB9A (0.45) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL3658110 0.81 KDM4E (0.44) RAB9AGAALMNAMAPTNPC1
SCHEMBL3653093 0.80 CYP1A2 (0.36) RAB9ACYP1A2CYP2D6CYP2C19KMT2A

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-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed