SCHEMBL6838519

SCHEMBL6838519

CCc1cc(C)cc2c1CCC(=O)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH2 P05091 2/20 0.35
ALDH3A1 P30838 1/20 0.35
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GAA P10253 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

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
SCHEMBL6832823 0.80 ALDH2 (0.41) HPGDKDM4ECYP1A2GLACYP2C9
SCHEMBL21143149 0.77 GLA (0.37) HPGDKDM4ECYP1A2GLACYP2C9
SCHEMBL6836880 0.76 KDM4E (0.46) HPGDKDM4ECYP1A2GLACYP2C9
SCHEMBL6835934 0.76 ALDH2 (0.35) HPGDALDH2ALDH3A1TSHRALDH1A1
SCHEMBL6836704 0.75 ALDH2 (0.37) HPGDKDM4ECYP1A2GLACYP2C9
SCHEMBL6838741 0.74 KDM4E (0.47) HPGDKDM4ECYP1A2GLACYP2C9
SCHEMBL18721194 0.71 PTPN1 (0.40) HPGDKDM4ECYP1A2GLACYP2C9
SCHEMBL6832877 0.69 ALDH2 (0.51) ALDH2ALDH3A1TSHRMAOB
SCHEMBL6832714 0.69 ALDH2 (0.51) ALDH2ALDH3A1TSHRMAOB
SCHEMBL6838797 0.69 KDM4E (0.46) HPGDKDM4ECYP1A2GLACYP2C9

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