SCHEMBL6832823

SCHEMBL6832823

Cc1cc(C)c2c(c1)OC(=O)CC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 2/20 0.41
ALDH3A1 P30838 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.37
TYMS P04818 1/20 0.34
UGT2B17 O75795 2/20 0.33

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
SCHEMBL21143149 0.81 GLA (0.37) ALDH2ALDH3A1KDM4ECYP1A2GLA
SCHEMBL2935561 0.81 CYP19A1 (0.42) ALDH2ALDH3A1KDM4ECYP1A2GLA
SCHEMBL6838519 0.80 HPGD (0.36) ALDH2ALDH3A1KDM4ECYP1A2GLA
SCHEMBL6836704 0.79 ALDH2 (0.37) ALDH2ALDH3A1KDM4ECYP1A2GLA
SCHEMBL11013926 0.75 KDM4E (0.38) ALDH2ALDH3A1KDM4ECYP1A2GLA
SCHEMBL6835962 0.73 KDM4E (0.50) ALDH2ALDH3A1KDM4ECYP1A2GLA
SCHEMBL6838590 0.73 ALDH2 (0.41) ALDH2ALDH3A1KDM4EHPGDALDH1A1
SCHEMBL19776151 0.72 ALDH2 (0.33) ALDH2ALDH3A1KDM4ECYP1A2GLA
SCHEMBL3600857 0.69 UGT2B17 (0.36) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL1508681 0.69 TYMS (0.46) KDM4EHPGDHSD17B10ALDH1A1TYMS

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 13 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
EP-0246114-B1 PHOTOCHROMIC SPIROPYRAN COMPOUNDS GEC-MARCONI LIMITED (GB) 1992-09-02 EP disclosed
US-4826977-A Photochromic spiropyran compounds THE PLESSEY COMPANY PLC (GB) 1989-05-02 US disclosed
EP-0246114-A2 Photochromic spiropyran compounds GEC-MARCONI LIMITED (GB) 1987-11-19 EP disclosed