SCHEMBL4642085

SCHEMBL4642085

CCCCCCCCCCCCCCC(C(=O)c1ccccc1)C1(O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP12 P39900 2/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
TBXAS1 P24557 1/20 0.43
PRSS1 P07477 2/20 0.43
CTSG P08311 2/20 0.43
CTRB1 P17538 2/20 0.43
CMA1 P23946 2/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
SLC6A4 P31645 1/20 0.42
CETP P11597 4/20 0.42
NAAA Q02083 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
CHRM2 P08172 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
SCHEMBL5802008 1.00 MMP2 (0.46) MMP2MMP9MMP12SLC6A2SLC6A3
SCHEMBL9694420 0.79 GPR84 (0.47) TBXAS1
SCHEMBL28760869 0.77 GPR84 (0.41)
SCHEMBL28379263 0.76 MMP2 (0.40) MMP2MMP9MMP12SLC6A2SLC6A3
SCHEMBL5454617 0.75 OPRM1 (0.41) MMP2MMP9MMP12SLC6A3PRSS1
SCHEMBL29117316 0.75 MMP2 (0.63) MMP2MMP9MMP12SLC6A2SLC6A3
SCHEMBL27836181 0.75 CES2 (0.53) MMP2MMP9MMP12SLC6A2SLC6A3
SCHEMBL10456426 0.75 CES2 (0.53) MMP2MMP9MMP12SLC6A2SLC6A3
SCHEMBL30979218 0.75 CES2 (0.53) MMP2MMP9MMP12SLC6A2SLC6A3
SCHEMBL6684015 0.73 CES2 (0.51) MMP2MMP9MMP12SLC6A2SLC6A3

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
EP-1682591-B1 COPOLYMERS COMPRISING UNSATURATION AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2008-08-13 EP claimed