SCHEMBL11206385

SCHEMBL11206385

CC(=O)Oc1ccc2c(c1OC(C)=O)OCC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PARP1 P09874 1/20 0.41
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PGR P06401 2/20 0.37
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP2A6 P11509 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 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
SCHEMBL15988786 0.72 KDM4E (0.55) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL30200165 0.72 KDM4E (0.55) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL5959482 0.69 PGR (0.52) KDM4EMAPK1LMNAMAPTPARP1
SCHEMBL6556019 0.68 PARP1 (0.50) KDM4ELMNAMAPTPARP1ALDH1A1
SCHEMBL21588776 0.67 KDM4E (0.40) KDM4EMAPK1MAPTPARP1ALDH1A1
SCHEMBL29814593 0.67 KDM4E (0.40) KDM4EMAPK1MAPTPARP1ALDH1A1
SCHEMBL11541130 0.67 CYP2A6 (0.49) KDM4EMAPK1LMNAMAPTPARP1
SCHEMBL10524288 0.67 KDM4E (0.50) KDM4EMAPK1LMNAMAPTALDH1A1
SCHEMBL6266662 0.67 CA2 (0.61) KDM4ELMNAMAPTTHRBALDH1A1
SCHEMBL9205461 0.67 MAPK1 (0.41) KDM4EMAPK1LMNAMAPTTHRB

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
EP-0094769-A1 Preparing 7-alkoxybenzofurans and intermediates used therein THE UPJOHN COMPANY (US) 1983-11-23 EP claimed