SCHEMBL1079629

SCHEMBL1079629

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
CA2 P00918 4/20 0.34
ALDH1A1 P00352 3/20 0.33
CA1 P00915 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 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
SCHEMBL4797583 0.82 ALDH1A1 (0.43) CYP3A4TSHRTDP1ATMCA2
SCHEMBL1079631 0.82 TSHR (0.34) CYP3A4TSHRTDP1ATMCA2
SCHEMBL22081 0.78 CA2 (0.47) CYP3A4TSHRTDP1ATMCA2
SCHEMBL20609791 0.78 CA2 (0.47) CYP3A4TSHRTDP1ATMCA2
SCHEMBL20578185 0.77 TSHR (0.45) CYP3A4TSHRTDP1ATMCA2
Methacrylic Acid SCHEMBL9065134 0.77 CA2 (0.43) CYP3A4TSHRTDP1ATMCA2
Ethylene SCHEMBL1759446 0.76 CA2 (0.46) CYP3A4TSHRTDP1ATMCA2
SCHEMBL11183541 0.75 CA2 (0.46) CYP3A4TSHRTDP1ATMCA2
Methacrylic Acid SCHEMBL14938426 0.74 CA2 (0.42) CYP3A4TSHRTDP1ATMCA2
SCHEMBL7636494 0.74 TSHR (0.45) CYP3A4TSHRTDP1ATMCA2

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