SCHEMBL1079631

SCHEMBL1079631

C=C(CC(CC)CCCC)C(=O)O.COC(=O)C(C)=C(C)C(C)N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
SLC15A1 P46059 1/20 0.33
CA2 P00918 3/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
CA1 P00915 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 0.32
RECQL P46063 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 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
SCHEMBL4797583 0.83 ALDH1A1 (0.43) TSHRCA2TDP1CYP3A4ATM
SCHEMBL1079629 0.82 CYP3A4 (0.35) TSHRCA2TDP1CYP3A4ATM
SCHEMBL20609791 0.79 CA2 (0.47) TSHRCA2TDP1CYP3A4ATM
SCHEMBL22081 0.79 CA2 (0.47) TSHRCA2TDP1CYP3A4ATM
Methacrylic Acid SCHEMBL9065134 0.77 CA2 (0.43) TSHRCA2TDP1CYP3A4ATM
SCHEMBL20578185 0.77 TSHR (0.45) TSHRCA2TDP1CYP3A4ATM
Ethylene SCHEMBL1759446 0.77 CA2 (0.46) TSHRCA2TDP1CYP3A4ATM
SCHEMBL3963117 0.74 CA2 (0.43) TSHRCA2TDP1CYP3A4ATM
SCHEMBL3673165 0.74 GPR84 (0.43) TSHRCA2TDP1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL17888695 0.74 TSHR (0.51) TSHRCA2TDP1CYP3A4ATM

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
US-RE42048-E1 Multilayer foam tape over core; polyacrylic acid, acrylic acid-acrylonitrile copolymer interpenetrating polymer network 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-01-18 US disclosed
US-6864322-B2 Multilayer foam tape over core; polyacrylic acid, acrylic acid-acrylonitrile copolymer interpenetrating polymer network 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-08 US disclosed