SCHEMBL7489591

SCHEMBL7489591

CCOC(=O)C1COc2ccc(C=O)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL7483507 0.95 CYP4F2 (0.46) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL6100697 0.95 CYP4F2 (0.46) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL6100693 0.95 CYP4F2 (0.46) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL1519271 0.84 CYP4F2 (0.50) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL1519097 0.82 POLB (0.58) CYP4F2CYP4A11POLBNPC1ALDH1A1
SCHEMBL1519167 0.82 CYP4F2 (0.48) CYP4F2CYP4A11POLBNPC1ALDH1A1
SCHEMBL11465271 0.81 CYP4F2 (0.49) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL7203233 0.81 CYP4F2 (0.47) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL7485154 0.80 MAPT (0.48) POLBNPC1RAB9AALDH1A1HSD17B10
SCHEMBL7485148 0.80 MAPT (0.48) POLBNPC1RAB9AALDH1A1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825189-B1 1,4-BENZODIOXIN DERIVATIVES NISSHIN PHARMA INC (JP) 2002-01-02 EP disclosed
US-6130243-A PROPHYLACTIC OR THERAPEUTIC AGENT FOR DIABETES, HYPERGLYCEMIA AND OBESITY IN MAMMALS NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-10-10 US disclosed
EP-0825189-A1 1,4-BENZODIOXIN DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-02-25 EP disclosed