SCHEMBL8916689

SCHEMBL8916689

O=C(CCCCCNC(=O)C(=O)NCCCCCC(=O)OO)OO

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.43
EPHX2 P34913 6/20 0.42
PLA2G2A P14555 1/20 0.42
ADRA1A P35348 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G4A P47712 1/20 0.38
LMNA P02545 1/20 0.37
CASP2 P42575 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL9308061 0.83 PRMT1 (0.41) PRMT1EPHX2ADRA1AKDM4EMAPK1
SCHEMBL9307831 0.83 PRMT1 (0.41) PRMT1EPHX2ADRA1AKDM4EMAPK1
SCHEMBL4141159 0.81 DGKA (0.44) MAPK1ALDH1A1LMNA
SCHEMBL134788 0.81 DGKA (0.44) MAPK1ALDH1A1LMNA
SCHEMBL338909 0.81 DGKA (0.44) MAPK1ALDH1A1LMNA
SCHEMBL38542 0.81 DGKA (0.44) MAPK1ALDH1A1LMNA
SCHEMBL10346810 0.81 DGKA (0.44) MAPK1ALDH1A1LMNA
SCHEMBL20542 0.81 DGKA (0.44) MAPK1ALDH1A1LMNA
SCHEMBL4662886 0.81 DGKA (0.44) MAPK1ALDH1A1LMNA
SCHEMBL11065777 0.81 DGKA (0.44) MAPK1ALDH1A1LMNA

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-5648521-A DECYCLIZATION, OXIDATION HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed