SCHEMBL4238976

SCHEMBL4238976

CCCCCCCCC#CC#Cc1ccc(CBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
KCNH2 Q12809 7/20 0.43
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.42
HMGCR P04035 2/20 0.39
PTPN7 P35236 1/20 0.39
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TNK2 Q07912 1/20 0.36

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
SCHEMBL10755328 0.89 FFAR1 (0.60) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL4240942 0.84 FFAR1 (0.52) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL8387466 0.81 FFAR1 (0.48) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL15283934 0.80 KCNH2 (0.47) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL14252030 0.76 FFAR1 (0.60) FFAR1FFAR4MMP2MMP12HMGCR
SCHEMBL5886652 0.75 FFAR1 (0.63) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL2023915 0.73 FFAR1 (0.70) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL9332907 0.73 FFAR1 (0.61) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL9335934 0.73 FFAR1 (0.61) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL9333090 0.73 FFAR1 (0.61) FFAR1FFAR4KCNH2MMP2MMP12

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-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