Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6463893

CNC(=O)CCCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
FAAH O00519 3/20 0.54
CES1 P23141 3/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.51
ADRA1A P35348 1/20 0.51
HDAC4 P56524 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
ALOX5 P09917 1/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL622139 0.90 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL14419004 0.87 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL20373704 0.85 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL6630702 0.85 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL16658763 0.83 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL16658764 0.83 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL16658766 0.83 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL16658762 0.83 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL5990328 0.83 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL8009605 0.83 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8HDAC6

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed