SCHEMBL28449798

SCHEMBL28449798

CCCCC(=O)N(O)CC(C)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.51
KDM4A O75164 1/20 0.47
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
PHF8 Q9UPP1 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 1/20 0.42
HPGD P15428 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7605182 0.89 ALOX5 (0.58) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL7607376 0.86 ALOX5 (0.54) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL9835783 0.79 ALOX5 (0.67) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL28449522 0.78 ALOX5 (0.51) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL9834381 0.76 ALOX5 (0.77) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL9836200 0.74 ALOX5 (0.74) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL14553382 0.74 ALOX5 (0.79) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL9833716 0.73 ALOX5 (0.72) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL9836494 0.73 ALOX5 (0.72) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL28147120 0.73 ALOX5 (0.72) ALOX5KDM4AKDM5AKDM4CPHF8

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
CN-111566116-A Novel metal complex, method for producing same, and method for producing gamma-lactam compound using same 基础科学研究院 2020-08-21 CN disclosed