SCHEMBL20734804

SCHEMBL20734804

COc1cc(OC)c2cc(C(=O)c3ccc(CCC(C)=O)cc3)c(=O)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
MAOB P27338 4/20 0.45
MAOA P21397 2/20 0.45
CNR2 P34972 6/20 0.44
SLC22A12 Q96S37 1/20 0.43
CYP3A4 P08684 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 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
SCHEMBL21105337 0.92 ALDH1A1 (0.48) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL21105257 0.91 MAOB (0.46) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL21105231 0.89 SLC22A12 (0.47) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL21549824 0.89 ALDH1A1 (0.47) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL22272838 0.89 CNR2 (0.44) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL23452021 0.88 CNR2 (0.52) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL20734802 0.88 MAOB (0.47) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL21284577 0.87 MEN1 (0.54) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL19725944 0.86 CNR1 (0.53) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL19725790 0.86 CNR1 (0.53) KDM4ENPC1ALDH1A1RAB9APOLB

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-2019030631-A1 MULTIFUNCTIONAL POLYMERIC PHOTOINITIATORS IGM GROUP BV (NL) 2019-02-14 WO disclosed