SCHEMBL9190888

SCHEMBL9190888

C[C](C)C(=O)NCCCC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
PLA2G2A P14555 2/20 0.39
PAOX Q6QHF9 3/20 0.39
ADRA1A P35348 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
GAA P10253 1/20 0.33
CASP2 P42575 1/20 0.33
EPHX2 P34913 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL7113895 0.83 TDP1 (0.39) PLA2G4AKDM4EMAPK1HIF1APLA2G2A
SCHEMBL1525045 0.81 KDM4E (0.64) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL224483 0.76 EPHX1 (0.54) PLA2G4APLA2G2AEPHX2
SCHEMBL5307349 0.75 KDM4E (0.37) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL25065006 0.74 KDM4E (0.68) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL30439276 0.74 PLA2G2A (0.67) PLA2G4APLA2G2AMEN1KMT2ADPP7
SCHEMBL19658369 0.73 KDM4E (0.46) PLA2G4AKDM4EMAPK1HIF1APLA2G2A
SCHEMBL29371504 0.73 PRMT1 (0.56) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL608623 0.73 KDM4E (0.73) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL22984077 0.73 KDM4E (0.73) KDM4EMAPK1HIF1APAOXADRA1A

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-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed