SCHEMBL6832877

SCHEMBL6832877

CCc1cc2c(cc1C)OC(=O)CC2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.51
ALDH3A1 P30838 1/20 0.51
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.33
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL6832714 0.93 ALDH2 (0.51) ALDH2ALDH3A1MAOBTSHRNOS3
SCHEMBL6836680 0.83 ALDH2 (0.58) ALDH2ALDH3A1MAOBTSHR
SCHEMBL2934063 0.81 ALDH2 (0.43) ALDH2ALDH3A1MAOBTSHR
SCHEMBL9293180 0.79 ALDH2 (0.40) ALDH2ALDH3A1MAOB
SCHEMBL7030775 0.77 ALDH2 (0.53) ALDH2ALDH3A1MAOBTSHR
SCHEMBL14192627 0.75 ALDH2 (0.51) ALDH2ALDH3A1MAOBTSHR
SCHEMBL13673041 0.75 ALDH2 (0.50) ALDH2ALDH3A1MAOBTSHR
SCHEMBL13389081 0.74 ALDH2 (0.53) ALDH2ALDH3A1MAOBTSHR
SCHEMBL10158650 0.72 CTNNB1 (0.42)
SCHEMBL6838708 0.72 PARP1 (0.43) ALDH2ALDH3A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639893-A Process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US claimed
EP-0757989-A1 A process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-12 EP claimed
US-5300662-A Process for producing coumarin and derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-05 US claimed
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 US disclosed
EP-0539181-B1 Process for producing coumarin and derivatives thereof SUMITOMO CHEMICAL CO (JP) 1997-06-18 EP disclosed
US-5639893-A Process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US disclosed
EP-0757989-A1 A process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
US-5300662-A Process for producing coumarin and derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-05 US disclosed
EP-0539181-A1 Process for producing coumarin and derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-28 EP disclosed