SCHEMBL6835934

SCHEMBL6835934

CCc1cc(C)cc2c1OC(=O)CC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
PPARG P37231 1/20 0.31
HTT P42858 1/20 0.31
MAPK10 P53779 1/20 0.31
NCOA2 Q15596 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAOB P27338 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
SCHEMBL6838590 0.80 ALDH2 (0.41) ALDH2ALDH3A1TSHRALDH1A1GAA
SCHEMBL14032812 0.79 ALDH2 (0.36) ALDH2ALDH3A1TSHRMAOB
SCHEMBL6835901 0.76 KDM4E (0.35) ALDH2ALDH3A1TSHRALDH1A1HPGD
SCHEMBL6838519 0.76 HPGD (0.36) ALDH2ALDH3A1TSHRALDH1A1GAA
SCHEMBL6838729 0.75 ALDH2 (0.37) ALDH2ALDH3A1TSHR
SCHEMBL6836824 0.74 AKR1B1 (0.38) TSHRGAAMAOB
SCHEMBL14192255 0.74 TSHR (0.42) ALDH2ALDH3A1TSHRALDH1A1HPGD
SCHEMBL6832877 0.69 ALDH2 (0.51) ALDH2ALDH3A1TSHRMAOB
SCHEMBL6832714 0.69 ALDH2 (0.51) ALDH2ALDH3A1TSHRMAOB
SCHEMBL6836815 0.68 HDAC1 (0.37) ALDH2ALDH3A1TSHRALDH1A1HPGD

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