SCHEMBL5585727

SCHEMBL5585727

CCCCN1CCCCC1(OCCC)OCCC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
TSHR P16473 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
EBP Q15125 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
SCHEMBL5585642 0.95 LTA4H (0.32) LTA4HGRIN1GRIN2AGRIN2BSIGMAR1
SCHEMBL5586062 0.90 LTA4H (0.36) LTA4HGRIN1GRIN2AGRIN2BTSHR
SCHEMBL5585764 0.87 OPRM1 (0.32) LTA4HSIGMAR1OPRM1OPRD1OPRK1
SCHEMBL5585687 0.84 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5585662 0.82 SIGMAR1 (0.31) SIGMAR1EBP
SCHEMBL5586065 0.82 SIGMAR1 (0.33) LTA4HGRIN1GRIN2AGRIN2BSIGMAR1
SCHEMBL5585752 0.80 SIGMAR1 (0.31) SIGMAR1
SCHEMBL5585758 0.78
SCHEMBL5585801 0.77 MAPK1 (0.32) LTA4HSIGMAR1OPRM1OPRD1OPRK1
SCHEMBL1134144 0.77 DRD2 (0.33) SIGMAR1EBP

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