SCHEMBL5586010

SCHEMBL5586010

CCCCOC1(CCCC)CCN1C

nearest known ligand 0.30

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
HTR2A P28223 1/20 0.30
MAPK1 P28482 1/20 0.30
SCN1A P35498 1/20 0.30
HTR2B P41595 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN2A Q99250 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SCN3A Q9NY46 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL5585332 0.87 LTA4H (0.34) LTA4H
SCHEMBL5585913 0.81
SCHEMBL5585899 0.76 LTA4H (0.32) LTA4H
SCHEMBL5586081 0.70
SCHEMBL6684870 0.69 LTA4H (0.33) LTA4HALDH1A1CYP1A2CHRM2CHRM1
SCHEMBL5586043 0.68
SCHEMBL3180047 0.65 ADRB2 (0.39) ALDH1A1
SCHEMBL5585801 0.63 MAPK1 (0.32) LTA4HALDH1A1CYP1A2CHRM2CHRM1
SCHEMBL4266864 0.63 S1PR1 (0.33)
SCHEMBL5585718 0.63 OPRM1 (0.32)

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