SCHEMBL28533937

SCHEMBL28533937

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALOX5 P09917 1/20 0.38
KDM5A P29375 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
KDM7A Q6ZMT4 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
TSHR P16473 5/20 0.37
PMP22 Q01453 2/20 0.37
NFKB1 P19838 1/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
NR1I2 O75469 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL9063104 0.98 TSHR (0.40) LMNAALOX5KDM5AKDM4CPHF8
SCHEMBL20537295 0.95 ALOX5 (0.39) LMNAALOX5ITGB3ITGA2BTSHR
SCHEMBL7941387 0.87 GAA (0.36) ALOX5ITGB3ITGA2BALDH1A1KMT2A
SCHEMBL15300078 0.85 KDM5A (0.43) LMNAALOX5KDM5AKDM4CPHF8
SCHEMBL15299922 0.85 KDM5A (0.43) LMNAALOX5KDM5AKDM4CPHF8
SCHEMBL10423804 0.85 KDM5A (0.43) LMNAALOX5KDM5AKDM4CPHF8
SCHEMBL10424780 0.85 KDM5A (0.43) LMNAALOX5KDM5AKDM4CPHF8
SCHEMBL15299925 0.85 KDM5A (0.43) LMNAALOX5KDM5AKDM4CPHF8
SCHEMBL15300098 0.85 KDM5A (0.43) LMNAALOX5KDM5AKDM4CPHF8
SCHEMBL15299835 0.85 KDM5A (0.43) LMNAALOX5KDM5AKDM4CPHF8

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
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