Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9864408

C[C@H](NC(CC(=O)c1ccccc1)C(=O)OCc1ccccc1)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
KMT2A Q03164 3/20 0.42
CAPN1 P07384 1/20 0.41
TACR1 P25103 2/20 0.41
ACE P12821 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
MEN1 O00255 1/20 0.40
CTSK P43235 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL10735346 0.93 KMT2A (0.48) KMT2ACAPN1TACR1ACEMEN1
SCHEMBL14182572 0.83 KMT2A (0.48) KMT2ATACR1MEN1CTSKSLC6A2
SCHEMBL9864576 0.83 POLB (0.48) KMT2ACTSKSLC6A2SLC6A3TDP1
SCHEMBL28547510 0.82 KMT2A (0.53) KMT2ATACR1ACEMEN1SLC6A2
SCHEMBL7097431 0.82 KMT2A (0.53) KMT2ATACR1ACEMEN1SLC6A2
SCHEMBL8622468 0.82 KMT2A (0.53) KMT2ATACR1ACEMEN1SLC6A2
SCHEMBL8678564 0.80 SLC15A1 (0.51) CAPN1TACR1CTSKALDH1A1
SCHEMBL3370862 0.80 KMT2A (0.60) KMT2AACEMEN1POLBNPSR1
SCHEMBL3370856 0.80 KMT2A (0.60) KMT2AACEMEN1POLBNPSR1
SCHEMBL6025269 0.80 KMT2A (0.60) KMT2AACEMEN1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061722-A Hypotensive agents; e.g. ramipril HOECHST AG (DE) 1991-10-29 US disclosed
US-5053519-A Hypotensive agents; diuretics; vasodilation HOECHST AG (DE) 1991-10-01 US disclosed
US-4879403-A AMINATION, CRYSTALLIZATION HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-07 US disclosed
US-4727160-A HYPOTENSIVE INTERMEDIATES HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-23 US disclosed
US-4714708-A Derivatives of cis, endo-2-azabicyclo[5.3.0]decane-3-carboxylic acid, and their use for treating hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-22 US disclosed