SCHEMBL9717431

SCHEMBL9717431

O=C(O)CCNC(=O)CCC(=O)NCCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.65
PHF8 Q9UPP1 5/20 0.50
KDM2A Q9Y2K7 5/20 0.50
KDM4E B2RXH2 3/20 0.50
KDM5C P41229 3/20 0.50
EGLN1 Q9GZT9 3/20 0.50
KDM6B O15054 1/20 0.50
FOLH1 Q04609 1/20 0.50
ITGB3 P05106 3/20 0.49
ITGA2B P08514 3/20 0.49
FAAH O00519 2/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
LMNA P02545 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM7A Q6ZMT4 1/20 0.42
PRMT1 Q99873 1/20 0.42

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
SCHEMBL8531287 0.97 ECE1 (0.62) ECE1PHF8KDM2AKDM4EKDM5C
SCHEMBL6810784 0.91 PHF8 (0.60) ECE1PHF8KDM2AKDM4EKDM5C
SCHEMBL9717391 0.89 ECE1 (0.60) ECE1KDM4EITGB3ITGA2BFAAH
SCHEMBL9717382 0.89 ECE1 (0.60) ECE1ITGB3ITGA2BFAAHCNR1
SCHEMBL9717468 0.88 ECE1 (0.81) ECE1PHF8KDM2AKDM4EKDM5C
SCHEMBL12999596 0.88 ECE1 (0.54) ECE1PHF8KDM2AKDM4EKDM5C
SCHEMBL10457603 0.87 ECE1 (0.58) ECE1KDM4EITGB3ITGA2BFAAH
SCHEMBL12999532 0.87 ECE1 (0.58) ECE1ITGB3ITGA2BFAAHCNR1
SCHEMBL27858651 0.86 ECE1 (0.70) ECE1PHF8KDM2AKDM4EKDM5C
SCHEMBL16108691 0.85 ECE1 (0.56) ECE1FOLH1ITGB3ITGA2BFAAH

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-5086104-A Mixture of thermoplastic resin, elastomer and amide compound, excellent toughtness, heat resistance and durability POLYPLASTICS CO., LTD. (JP) 1992-02-04 US disclosed