SCHEMBL6969482

SCHEMBL6969482

COc1cccc(C=C2Oc3cc(OC(C)=O)ccc3C2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
USP2 O75604 1/20 0.67
RECQL P46063 1/20 0.67
MAOB P27338 4/20 0.65
PTGS2 P35354 2/20 0.64
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.57
NTSR1 P30989 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KIT P10721 1/20 0.57

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
SCHEMBL6969478 1.00 MEN1 (0.67) MEN1KMT2AUSP2RECQLMAOB
SCHEMBL6957789 0.91 MAOB (0.78) MEN1KMT2ARECQLMAOBPTGS2
SCHEMBL6957794 0.91 MAOB (0.78) MEN1KMT2ARECQLMAOBPTGS2
SCHEMBL6963133 0.90 MEN1 (0.71) MEN1KMT2AUSP2RECQLMAOB
SCHEMBL6963130 0.90 MEN1 (0.71) MEN1KMT2AUSP2RECQLMAOB
SCHEMBL6967079 0.88 MEN1 (0.65) MEN1KMT2AUSP2MAOBPTGS2
SCHEMBL6967086 0.88 MEN1 (0.65) MEN1KMT2AUSP2MAOBPTGS2
SCHEMBL6964652 0.88 MAOB (0.66) MEN1KMT2ARECQLMAOBPTGS2
SCHEMBL6964657 0.88 MAOB (0.66) MEN1KMT2ARECQLMAOBPTGS2
SCHEMBL6968908 0.87 MEN1 (0.70) MEN1KMT2AUSP2MAOBPTGS2

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