SCHEMBL4240942

SCHEMBL4240942

CCCCCCCCC#CC#Cc1ccc(CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
MMP2 P08253 1/20 0.45
MMP12 P39900 1/20 0.45
HMGCR P04035 4/20 0.42
PTPN7 P35236 1/20 0.42
KCNH2 Q12809 2/20 0.40
SELP P16109 1/20 0.39
TNK2 Q07912 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
SCHEMBL6933475 0.89 FFAR1 (0.64) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL6936496 0.84 FFAR1 (0.59) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL4238976 0.84 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12HMGCR
SCHEMBL8387466 0.84 FFAR1 (0.48) FFAR1FFAR4MMP2MMP12HMGCR
SCHEMBL15283934 0.80 KCNH2 (0.47) FFAR1FFAR4MMP2MMP12HMGCR
SCHEMBL6938030 0.79 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL14252030 0.78 FFAR1 (0.60) FFAR1FFAR4MMP2MMP12HMGCR
SCHEMBL15921659 0.76 FFAR1 (0.69) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5886652 0.75 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL6932038 0.75 FFAR1 (0.52) FFAR1FFAR4MMP2MMP12KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059496-A1 ACETYLENIC COMPOUNDS Commonwealth Scientific and Industrial Research Organisation (AU) 2009-05-20 EP disclosed
WO-2008031157-A1 ACETYLENIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-03-20 WO disclosed
WO-2008031157-A1 ACETYLENIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-03-20 WO disclosed