SCHEMBL6157314

SCHEMBL6157314

COc1cc(C=O)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 6/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
KDR P35968 1/20 0.49
FDPS P14324 1/20 0.49
CYP2C9 P11712 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FFAR1 O14842 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
TTR P02766 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
PPARD Q03181 1/20 0.45

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
SCHEMBL4029430 0.96 MAPT (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6583243 0.91 TRPA1 (0.48) ALDH1A1MAPTKDRFFAR1PPARG
SCHEMBL6583241 0.91 TRPA1 (0.48) ALDH1A1MAPTKDRFFAR1PPARG
SCHEMBL5372453 0.90 KDR (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5760923 0.89 NPC1 (0.54) NPC1RAB9AFDPSCYP2C9NPSR1
SCHEMBL4851743 0.89 ALDH1A1 (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6583466 0.89 MAPT (0.47) ALDH1A1MAPTKDRFFAR1PPARG
SCHEMBL6583468 0.89 MAPT (0.47) ALDH1A1MAPTKDRFFAR1PPARG
SCHEMBL6158298 0.88 KDR (0.50) ALDH1A1MAPTKDRFFAR1PPARG
SCHEMBL4845465 0.87 ALDH1A1 (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924300-B2 Oxyiminoalkanoic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
EP-1077957-B1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-08-04 EP disclosed
EP-1428531-A1 Oxyiminoalkanoic acid derivatives with hypoglycemic and hypolipidemic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-06-16 EP disclosed
EP-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
US-6495581-B1 DRUG FOR TREATING DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE, ARTERIAL SCLEROSIS AND IMPROVING INSULIN RESISTANCE, INFLAMMATORY DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
US-6251926-B1 OXYIMINOALKANOIC ACID DERIVATIVES HAVING HYPOGLYCEMIC EFFECT AND HYPOLIPIDEMIC EFFECT, IS USEFUL FOR TREATMENT OF DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE INFLAMMATORY DISEASE AND ARTERIOSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
EP-1077957-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2001-02-28 EP disclosed
WO-1999058510-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-18 WO disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed