SCHEMBL6583241

SCHEMBL6583241

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
MTNR1A P48039 1/20 0.48
MAPT P10636 4/20 0.48
KDR P35968 1/20 0.47
ALDH1A1 P00352 3/20 0.46
FFAR1 O14842 1/20 0.45
KDM4E B2RXH2 3/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
PPARD Q03181 1/20 0.43
APP P05067 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
HDAC3 O15379 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
SCHEMBL6583243 1.00 TRPA1 (0.48) TRPA1MTNR1AMAPTKDRALDH1A1
SCHEMBL6583466 0.96 MAPT (0.47) TRPA1MTNR1AMAPTKDRALDH1A1
SCHEMBL6583468 0.96 MAPT (0.47) TRPA1MTNR1AMAPTKDRALDH1A1
SCHEMBL6583866 0.96 MAPT (0.48) TRPA1MTNR1AMAPTKDRALDH1A1
SCHEMBL6157314 0.91 ALDH1A1 (0.54) MAPTKDRALDH1A1FFAR1KDM4E
SCHEMBL6584383 0.90 MAPT (0.46) TRPA1MTNR1AMAPTKDRALDH1A1
SCHEMBL8888136 0.90 TRPA1 (0.52) TRPA1MTNR1APPARGPPARAPPARD
SCHEMBL8888142 0.90 TRPA1 (0.52) TRPA1MTNR1APPARGPPARAPPARD
SCHEMBL6587325 0.89 PPARG (0.46) MAPTKDRFFAR1KDM4EPPARG
SCHEMBL6584308 0.89 KDR (0.45) MAPTKDRFFAR1KDM4EPPARG

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-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed