SCHEMBL7053848

SCHEMBL7053848

CCOc1ccc(C2CO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.56
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
LTA4H P09960 2/20 0.44
ADRA1A P35348 1/20 0.42
LMNA P02545 1/20 0.41
PARP10 Q53GL7 1/20 0.40
RELA Q04206 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40

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
SCHEMBL10690284 0.88 HTR1A (0.46) NQO1TSHRADRA1AHTR1AADRA1D
SCHEMBL10690281 0.88 HTR1A (0.46) NQO1TSHRADRA1AHTR1AADRA1D
SCHEMBL4789325 0.87 TSHR (0.41) NQO1TSHRTDP1MAOAMAOB
SCHEMBL4721321 0.86 NQO1 (0.45) NQO1TSHRTDP1MAOAMAOB
SCHEMBL10686532 0.86 HTR1A (0.44) NQO1TSHRADRA1AHTR1AADRA1D
SCHEMBL10686534 0.86 HTR1A (0.44) NQO1TSHRADRA1AHTR1AADRA1D
SCHEMBL13225666 0.85 NPC1 (0.50) MAOAMAOBLTA4HADRA1ALMNA
SCHEMBL10685745 0.82 ALDH1A1 (0.47) NQO1TSHRADRA1ALMNAHTR1A
SCHEMBL10685752 0.82 ALDH1A1 (0.47) NQO1TSHRADRA1ALMNAHTR1A
SCHEMBL10548344 0.81 FASN (0.41) NQO1TSHRTDP1MAOAMAOB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
CN-109867627-A A kind of fortified phenol beta-alkamine analog derivative and its preparation method and application 南方医科大学 2019-06-11 CN disclosed
EP-0611826-B1 Processes for production of optically active epoxides DAICEL CHEM (JP) 2003-05-02 EP disclosed
US-5672504-A TREATING MIXED EPOXIDE ENANTIOMORPHS WITH MICROORGANISMS TO INCREASE CONCENTRATION OF OPTICALLY PURE S-ENANTIOMORPHS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-30 US disclosed
US-5466838-A Catalytic reaction of olefin with oxygen in the presence of aldehyde SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-14 US disclosed
EP-0540009-B1 Process for producing epoxides SUMITOMO CHEMICAL CO (JP) 1995-08-30 EP disclosed
US-5367087-A Process for producing epoxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 US disclosed
EP-0611826-A2 Processes for production of optically active epoxides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-24 EP disclosed
EP-0540009-A1 Process for producing epoxides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-05 EP disclosed
US-5130339-A Intestine and uterine motility modulators for reduction of intraocular pressure for glaucoma treatment SANOFI (FR) 1992-07-14 US disclosed
EP-0104888-B1 PROCESS FOR PREPARING 2-HYDROXY-2-PHENYLETHYLAMINES ELI LILLY AND COMPANY (US) 1986-10-15 EP disclosed
EP-0104888-A1 Process for preparing 2-hydroxy-2-phenylethylamines ELI LILLY AND COMPANY (US) 1984-04-04 EP disclosed