SCHEMBL23801809

SCHEMBL23801809

CCCCC/C(=N\OC(C)=O)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccc(OC(=O)CC)cc3)ccc1n2CC(CC)CCCC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
ELANE P08246 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ESR1 P03372 2/20 0.31
HIF1A Q16665 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CNR1 P21554 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL23802418 0.95 CNR2 (0.37) CNR2KMT2AMEN1ESR1NPC1
SCHEMBL23801749 0.95 CNR2 (0.39) CNR2ELANENPC1CNR1
SCHEMBL25515402 0.95 CNR2 (0.39) CNR2ELANENPC1CNR1
SCHEMBL23801754 0.94 CNR2 (0.38) CNR2ELANEKMT2ANPC1SMN1; SMN2
SCHEMBL25515673 0.94 CNR2 (0.37) CNR2ELANENPC1CNR1
SCHEMBL23801816 0.93 CNR2 (0.37) CNR2MAPTNPC1SMN1; SMN2CNR1
SCHEMBL23801753 0.93 CNR2 (0.38) CNR2ELANEMAPTHTTNPC1
SCHEMBL23801814 0.93 CNR2 (0.35) CNR2KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL23801303 0.91 CNR2 (0.39) CNR2ELANEKMT2AMEN1MAPT
SCHEMBL25515723 0.91 CNR2 (0.36) CNR2KMT2ANPC1SMN1; SMN2CNR1

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
WO-2021175855-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2021-09-10 WO disclosed