SCHEMBL6023918

SCHEMBL6023918

CCCCCCCCC#Cc1ccc(CN(C(=O)C(=O)O)C(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MMP2 P08253 3/20 0.40
MMP12 P39900 1/20 0.39
KCNH2 Q12809 1/20 0.37
TNK2 Q07912 1/20 0.37
CNR2 P34972 1/20 0.36
GGPS1 O95749 1/20 0.33
PTPN11 Q06124 1/20 0.33
PTPRO Q16827 1/20 0.33
NR1H2 P55055 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
MDM2 Q00987 1/20 0.31
MEN1 O00255 1/20 0.31
PTPRZ1 P23471 1/20 0.31

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
SCHEMBL1853074 0.87 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL6022822 0.81 CA2 (0.47) MEN1
SCHEMBL6023415 0.80 KCNH2 (0.42) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL6022154 0.79 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1854070 0.79 FFAR1 (0.45) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1855706 0.78 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL4324666 0.78 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1855191 0.78 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1856010 0.78 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1854069 0.77 FFAR1 (0.41) 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