SCHEMBL6836372

SCHEMBL6836372

CCc1ccc(C)c2c1CCC(=O)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
HPGD P15428 4/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
GLA P06280 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
MAOB P27338 1/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTRC Q99895 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6836989 0.86 KDM4E (0.35) KDM4EHPGDALDH1A1TSHRHSD17B10
SCHEMBL6835949 0.83 TSHR (0.40) KDM4EHPGDALDH1A1TSHRHSD17B10
SCHEMBL9293180 0.73 ALDH2 (0.40) KDM4EHPGDHSD17B10GLACYP1A2
SCHEMBL6838797 0.72 KDM4E (0.46) KDM4EHPGDTSHRHSD17B10GLA
SCHEMBL6836880 0.72 KDM4E (0.46) KDM4EHPGDTSHRHSD17B10GLA
SCHEMBL6835901 0.72 KDM4E (0.35) KDM4EHPGDALDH1A1TSHRCYP1A2
SCHEMBL6836815 0.71 HDAC1 (0.37) KDM4EHPGDALDH1A1TSHR
SCHEMBL9293486 0.71 KDM4E (0.39) KDM4EHPGDALDH1A1HSD17B10GLA
SCHEMBL6838741 0.70 KDM4E (0.47) KDM4EHPGDALDH1A1TSHRHSD17B10
SCHEMBL9115120 0.70 HTR2C (0.41) KDM4EHPGDALDH1A1TSHRHSD17B10

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