SCHEMBL2373700

SCHEMBL2373700

C=C(CCCCN(CC)CC)C(=O)O.C=C(CCCN(CC)CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 5/20 0.42
KDM4C Q9H3R0 3/20 0.42
PAOX Q6QHF9 1/20 0.42
TBXAS1 P24557 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PHF8 Q9UPP1 2/20 0.36
GAA P10253 1/20 0.36
SIGMAR1 Q99720 2/20 0.34

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
SCHEMBL20935 0.98 KDM5A (0.44) KDM5AKDM4CPAOXTBXAS1APOBEC3A
SCHEMBL8849660 0.96 PAOX (0.46) KDM5AKDM4CPAOXTBXAS1APOBEC3A
SCHEMBL8850169 0.96 PAOX (0.46) KDM5AKDM4CPAOXTBXAS1APOBEC3A
SCHEMBL8850190 0.96 PAOX (0.46) KDM5AKDM4CPAOXTBXAS1APOBEC3A
SCHEMBL8849800 0.96 PAOX (0.46) KDM5AKDM4CPAOXTBXAS1APOBEC3A
SCHEMBL1147871 0.96 PAOX (0.46) KDM5AKDM4CPAOXTBXAS1APOBEC3A
SCHEMBL8849851 0.96 PAOX (0.46) KDM5AKDM4CPAOXTBXAS1APOBEC3A
SCHEMBL8849928 0.96 PAOX (0.46) KDM5AKDM4CPAOXTBXAS1APOBEC3A
SCHEMBL639272 0.96 PAOX (0.46) KDM5AKDM4CPAOXTBXAS1APOBEC3A
SCHEMBL887156 0.96 PAOX (0.46) KDM5AKDM4CPAOXTBXAS1APOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8021650-B2 Polymers containing silicone copolyol macromers and personal care compositions containing same LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-09-20 US claimed