SCHEMBL6838797

SCHEMBL6838797

CCc1c(C)ccc2c1CCC(=O)O2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
TSHR P16473 1/20 0.33
NOS3 P29474 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
SCHEMBL9293486 0.90 KDM4E (0.39) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL6838805 0.80 HPGD (0.50) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL6836880 0.79 KDM4E (0.46) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL6836815 0.78 HDAC1 (0.37) KDM4EHPGDALDH2ALDH3A1TSHR
SCHEMBL15354653 0.76 HPGD (0.46) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL21872053 0.74 HTR2C (0.40)
SCHEMBL6838741 0.74 KDM4E (0.47) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL6835962 0.73 KDM4E (0.50) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL6836989 0.72 KDM4E (0.35) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL6836372 0.72 KDM4E (0.35) KDM4ECYP1A2GLACYP2C9HPGD

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 9 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
EP-0539181-A1 Process for producing coumarin and derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-28 EP disclosed