SCHEMBL6968464

SCHEMBL6968464

COc1cc(/C=C2\Oc3cc(OC(C)C)ccc3C2=O)cc(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.68
MAOB P27338 5/20 0.67
KIT P10721 1/20 0.58
KDM4E B2RXH2 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 2/20 0.57
RECQL P46063 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.56
PPARA Q07869 1/20 0.55
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL6968471 1.00 PTGS2 (0.68) PTGS2MAOBKITKDM4ERAB9A
SCHEMBL6965970 0.91 MAOB (0.81) PTGS2MAOBKITKDM4ERAB9A
SCHEMBL6970250 0.91 MAOB (0.81) PTGS2MAOBKITKDM4ERAB9A
SCHEMBL6964657 0.90 MAOB (0.66) PTGS2MAOBKITKDM4ERAB9A
SCHEMBL6964652 0.90 MAOB (0.66) PTGS2MAOBKITKDM4ERAB9A
SCHEMBL6963130 0.87 MEN1 (0.71) PTGS2MAOBKITKDM4ERAB9A
SCHEMBL6963133 0.87 MEN1 (0.71) PTGS2MAOBKITKDM4ERAB9A
SCHEMBL6969954 0.85 MEN1 (0.70) PTGS2MAOBKDM4ERAB9AMEN1
SCHEMBL6969956 0.85 MEN1 (0.70) PTGS2MAOBKDM4ERAB9AMEN1
SCHEMBL6956102 0.84 PTGS2 (0.66) PTGS2MAOBKITKDM4EMEN1

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-0902022-B1 NOVEL BENZOFURANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAIICHI SEIYAKU CO (JP) 2003-07-30 EP disclosed
US-6143779-A Benzofuranone derivatives and a method for producing them SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 2000-11-07 US disclosed
EP-0902022-A1 NOVEL BENZOFURANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-03-17 EP disclosed