Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2363303

CN(C)CCC(CC(=O)c1ccc(-c2ccc(Nc3nc4ccc(Cl)cc4s3)cc2)cc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.46
CSGALNACT1 Q8TDX6 1/20 0.46
DYRK1A Q13627 1/20 0.39
FSCN1 Q16658 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 2/20 0.38
AURKB Q96GD4 1/20 0.38
LCK P06239 2/20 0.38
CACNA1B Q00975 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
PPARA Q07869 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTPN1 P18031 1/20 0.37
CACNA1H O95180 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL1747966 0.95 DGAT1 (0.47) DGAT1CSGALNACT1DYRK1AFSCN1MAPT
Trifluoroacetic Acid SCHEMBL2363935 0.88 DGAT1 (0.43) DGAT1CSGALNACT1DYRK1AMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL2363933 0.88 DGAT1 (0.43) DGAT1CSGALNACT1DYRK1AMAPTALDH1A1
SCHEMBL1748025 0.86 DGAT1 (0.49) DGAT1CSGALNACT1DYRK1AFSCN1TRPV1
Trifluoroacetic Acid SCHEMBL2363691 0.84 NPC1 (0.43) DGAT1CSGALNACT1DYRK1AMAPTALDH1A1
SCHEMBL2307751 0.83 DGAT1 (0.49) DGAT1CSGALNACT1DYRK1AFSCN1TRPV1
SCHEMBL2306954 0.82 KMT2A (0.46) DGAT1CSGALNACT1DYRK1AMAPTALDH1A1
SCHEMBL1748280 0.82 DGAT1 (0.45) DGAT1CSGALNACT1DYRK1AFSCN1TRPV1
SCHEMBL2306757 0.79 NPC1 (0.47) DGAT1CSGALNACT1DYRK1AMAPTALDH1A1
SCHEMBL2306840 0.78 DYRK1A (0.48) DGAT1CSGALNACT1DYRK1AFSCN1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed