SCHEMBL6022154

SCHEMBL6022154

O=C(O)CCCCCCCCC#Cc1ccc(CN(Cc2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.44
FFAR4 Q5NUL3 3/20 0.44
MMP2 P08253 3/20 0.39
MMP12 P39900 1/20 0.39
PTPRZ1 P23471 1/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
TNK2 Q07912 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32

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
SCHEMBL1858378 0.85 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12ITGB1
SCHEMBL6023415 0.81 KCNH2 (0.42) FFAR1FFAR4MMP2MMP12
SCHEMBL6023918 0.79 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12PTPRZ1
SCHEMBL6023502 0.77 KCNH2 (0.38) FFAR1FFAR4MMP2MMP12
SCHEMBL1734789 0.76 MMP2 (0.41) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1855218 0.76 PTGES (0.41) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1851186 0.76 FFAR1 (0.62) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1853670 0.75 PTGES (0.43) FFAR1FFAR4MMP2MMP12ITGB1
SCHEMBL4669842 0.75 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1851808 0.75 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2

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-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed