SCHEMBL6583665

SCHEMBL6583665

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
MAPT P10636 5/20 0.46
FFAR1 O14842 1/20 0.43
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
PPARD Q03181 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
APP P05067 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 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
SCHEMBL6583671 1.00 KDR (0.49) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6583987 0.89 KDR (0.52) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6583992 0.89 KDR (0.52) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6587331 0.88 MAPT (0.49) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6587340 0.88 MAPT (0.49) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6583468 0.87 MAPT (0.47) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6583466 0.87 MAPT (0.47) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6583241 0.87 TRPA1 (0.48) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6583243 0.87 TRPA1 (0.48) KDRMAPTFFAR1PPARGPPARA
SCHEMBL8887495 0.84 PPARG (0.49) PPARGPPARAPPARDPTPN2PTPN1

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 2 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
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed