Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18152377

Nc1ccc(OCCOCc2ccccc2)c(-c2ccc(F)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.48
PTGER1 P34995 1/20 0.40
BCL9 O00512 6/20 0.39
CTNNB1 P35222 6/20 0.39
SYK P43405 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SLC6A9 P48067 1/20 0.39
FEN1 P39748 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
ALOX5AP P20292 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL20025817 0.91 PTGDR2 (0.47) PTGDR2PTGER1BCL9CTNNB1SYK
SCHEMBL18152302 0.80 FFAR4 (0.42) PTGER1BCL9CTNNB1SYKFFAR1
SCHEMBL18152365 0.78 SYK (0.49) PTGER1BCL9CTNNB1SYK
SCHEMBL18076083 0.76 GRM2 (0.57)
SCHEMBL20025818 0.75 BCL9 (0.48) BCL9CTNNB1SYKALDH1A1
SCHEMBL18152284 0.75 PTGDR2 (0.49) PTGDR2BCL9CTNNB1SYKFFAR4
SCHEMBL16046595 0.74 S1PR1 (0.41) RXRARXRBRXRG
SCHEMBL3787470 0.73 PTGDR2 (0.57) PTGDR2PTGER1RXRARXRBRXRG
SCHEMBL18152413 0.72 CTNNB1 (0.77) BCL9CTNNB1
SCHEMBL18152321 0.72 PTGER1 (0.58) PTGER1BCL9CTNNB1FEN1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016168524-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-10-20 WO disclosed