SCHEMBL5585801

SCHEMBL5585801

CCCCOC1(OCCC)CCN1CCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.32
LTA4H P09960 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
SCN1A P35498 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN2A Q99250 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SCN3A Q9NY46 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 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
SCHEMBL5585764 0.89 OPRM1 (0.32) MAPK1LTA4HALDH1A1CYP1A2CHRM2
SCHEMBL5586062 0.88 LTA4H (0.36) MAPK1LTA4HALDH1A1CYP1A2CHRM2
SCHEMBL5585687 0.81 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5585727 0.77 LTA4H (0.34) LTA4HSIGMAR1OPRM1OPRD1OPRK1
SCHEMBL5585632 0.74 OPRM1 (0.30) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5585642 0.73 LTA4H (0.32) LTA4HSIGMAR1
SCHEMBL5585718 0.72 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL6684870 0.70 LTA4H (0.33) MAPK1LTA4HALDH1A1CYP1A2CHRM2
SCHEMBL5585804 0.69 DRD2 (0.35) KCNH2SIGMAR1
SCHEMBL5586081 0.68

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-1836238-A1 FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM Bridgestone Corporation (JP) 2007-09-26 EP disclosed
WO-2006076629-A1 FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM BRIDGESTONE CORPORATION (JP) 2006-07-20 WO disclosed