SCHEMBL20537295

SCHEMBL20537295

CC1(C)CC(CCCC(=O)O)CC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
UGT2B7 P16662 1/20 0.35
LMNA P02545 2/20 0.34
SLC22A6 Q4U2R8 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 4/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
AKR1B1 P15121 1/20 0.33
PPARG P37231 4/20 0.32
PPARD Q03181 4/20 0.32
PPARA Q07869 4/20 0.32
GPR84 Q9NQS5 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL28533937 0.95 LMNA (0.38) ALOX5ITGB3ITGA2BLMNASLC22A6
SCHEMBL9063104 0.93 TSHR (0.40) ALOX5LMNASLC22A6TSHRNFKB1
SCHEMBL7941387 0.89 GAA (0.36) ALOX5ITGB3ITGA2BUGT2B7GAA
SCHEMBL23326466 0.81 GAA (0.41) GAAL3MBTL1
SCHEMBL15299922 0.79 KDM5A (0.43) ALOX5LMNASLC22A6TSHRNFKB1
SCHEMBL10423804 0.79 KDM5A (0.43) ALOX5LMNASLC22A6TSHRNFKB1
SCHEMBL15299925 0.79 KDM5A (0.43) ALOX5LMNASLC22A6TSHRNFKB1
SCHEMBL15300098 0.79 KDM5A (0.43) ALOX5LMNASLC22A6TSHRNFKB1
SCHEMBL15300078 0.79 KDM5A (0.43) ALOX5LMNASLC22A6TSHRNFKB1
SCHEMBL10424780 0.79 KDM5A (0.43) ALOX5LMNASLC22A6TSHRNFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533902-A Compositions comprising nitroxide inhibitors, quinone methide blockers and amine stabilizers to inhibit polymerization of monomers 埃科莱布美国股份有限公司 2021-03-19 CN claimed
CN-112533902-A Compositions comprising nitroxide inhibitors, quinone methide blockers and amine stabilizers to inhibit polymerization of monomers 埃科莱布美国股份有限公司 2021-03-19 CN disclosed
EP-3390339-A1 PRODUCTION OF TERT-BUTYL ESTERS OF ETHYLENICALLY UNSATURATED CARBOXYLIC ACIDS BASF SE (DE) 2018-10-24 EP disclosed