SCHEMBL6836726

SCHEMBL6836726

Cc1ccc2c(c1C)OC(=O)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
TSHR P16473 1/20 0.37
TYMS P04818 1/20 0.34
AKR1B1 P15121 1/20 0.33
HDAC3 O15379 4/20 0.33
HDAC4 P56524 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC7 Q8WUI4 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC10 Q969S8 4/20 0.33
HDAC11 Q96DB2 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
HDAC9 Q9UKV0 4/20 0.33
HDAC5 Q9UQL6 4/20 0.33
TDP2 O95551 1/20 0.32

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
SCHEMBL2604971 0.83 ESR1 (0.39) KDM4EALDH1A1HPGDALDH2ALDH3A1
SCHEMBL6835901 0.80 KDM4E (0.35) KDM4EALDH1A1HPGDALDH2ALDH3A1
SCHEMBL6836815 0.79 HDAC1 (0.37) KDM4EALDH1A1HPGDALDH2ALDH3A1
SCHEMBL14192255 0.78 TSHR (0.42) KDM4EALDH1A1HPGDALDH2ALDH3A1
SCHEMBL834241 0.77 ALDH2 (0.37) KDM4EALDH1A1HPGDALDH2ALDH3A1
SCHEMBL6838805 0.73 HPGD (0.50) KDM4EALDH1A1HPGDALDH2ALDH3A1
SCHEMBL6835949 0.72 TSHR (0.40) KDM4EALDH1A1HPGDALDH2ALDH3A1
SCHEMBL9293486 0.72 KDM4E (0.39) KDM4EALDH1A1HPGDALDH2ALDH3A1
SCHEMBL19152990 0.70 ALDH2 (0.36) KDM4EHPGDALDH2ALDH3A1TSHR
SCHEMBL10058464 0.70 AKT1 (0.39) KDM4EALDH1A1HPGDALDH2ALDH3A1

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