SCHEMBL5586062

SCHEMBL5586062

CCCCOC1(OCCC)CCCCN1CCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 4/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
THRB P10828 2/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD4 P21917 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
SCHEMBL5585727 0.90 LTA4H (0.34) LTA4HGRIN1GRIN2AGRIN2BTSHR
SCHEMBL5585801 0.88 MAPK1 (0.32) LTA4HALDH1A1LMNACYP1A2CHRM2
SCHEMBL5585687 0.88 OPRM1 (0.32)
SCHEMBL5585642 0.86 LTA4H (0.32) LTA4HGRIN1GRIN2AGRIN2B
SCHEMBL5585632 0.80 OPRM1 (0.30)
SCHEMBL5585764 0.78 OPRM1 (0.32) LTA4HALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5585758 0.75
SCHEMBL6684870 0.74 LTA4H (0.33) LTA4HGRIN1GRIN2AGRIN2BTSHR
SCHEMBL5585662 0.73 SIGMAR1 (0.31) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5586065 0.73 SIGMAR1 (0.33) LTA4HGRIN1GRIN2AGRIN2B

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