SCHEMBL6835949

SCHEMBL6835949

Cc1ccc(C)c2c1CCC(=O)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
MAOA P21397 4/20 0.36
MAOB P27338 3/20 0.36
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 1/20 0.33
AKR1B1 P15121 1/20 0.32
PARP1 P09874 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
SCHEMBL6836372 0.83 KDM4E (0.35) TSHRKDM4EHPGDALDH1A1GLA
SCHEMBL6836989 0.83 KDM4E (0.35) TSHRKDM4EHPGDALDH1A1GLA
SCHEMBL14026631 0.76 KDM4E (0.38) TSHRKDM4EHPGDALDH1A1GLA
SCHEMBL4749556 0.73 TSHR (0.34) TSHRKDM4EHPGDGLAHSD17B10
SCHEMBL6838805 0.72 HPGD (0.50) TSHRKDM4EHPGDALDH1A1GLA
SCHEMBL6835962 0.72 KDM4E (0.50) TSHRKDM4EHPGDGLAHSD17B10
SCHEMBL6836726 0.72 KDM4E (0.53) TSHRKDM4EHPGDALDH1A1ALDH2
SCHEMBL834241 0.72 ALDH2 (0.37) TSHRKDM4EHPGDALDH1A1ALDH2
SCHEMBL11981377 0.70 MAOA (0.38) MAOAMAOB
SCHEMBL6838797 0.68 KDM4E (0.46) TSHRKDM4EHPGDGLAHSD17B10

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
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