Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4707696

Cc1c(CN2CCC(c3c(F)cccc3Cl)CC2)c2ccccc2n1CC(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.47
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.41
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4779433 0.96 PTGDR2 (0.50) PTGDR2KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL4778231 0.88 KDM4E (0.46) PTGDR2KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL4707699 0.87 KDM4E (0.43) PTGDR2KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL4776203 0.86 KDM4E (0.46) PTGDR2KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL4778810 0.86 KDM4E (0.46) PTGDR2KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL4774108 0.86 KDM4E (0.44) PTGDR2KDM4EPOLBTSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4708162 0.86 CYP2A13 (0.41) PTGDR2KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL4708788 0.85 KDM4E (0.44) PTGDR2KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL4780894 0.84 LMNA (0.47) PTGDR2KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL4773925 0.84 POLB (0.42) PTGDR2KDM4EPOLBTSHRSMN1; SMN2

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
WO-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO disclosed
EP-1873150-A1 Fluorinated indoleamides useful as ligands of the ORL-1 receptor NIKEM RESEARCH S.R.L. (IT) 2008-01-02 EP disclosed