SCHEMBL9255529

SCHEMBL9255529

C=CCOc1ccccc1C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.55
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
HTR1A P08908 6/20 0.46
SLC6A4 P31645 5/20 0.46
SLC6A2 P23975 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA2A P08913 2/20 0.46
USP2 O75604 1/20 0.46
CHRM1 P11229 1/20 0.46
CYP2C9 P11712 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGS1 P23219 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC6A3 Q01959 3/20 0.44

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
SCHEMBL10632525 0.81 PTGDR2 (0.59) PTGDR2HTR1DHTR1BHTR1ASLC6A4
SCHEMBL10632447 0.79 PTGDR2 (0.62) PTGDR2HTR1DHTR1BHTR1ASLC6A4
SCHEMBL12129219 0.77 HTR1D (0.61) PTGDR2HTR1DHTR1BHTR1ASLC6A4
SCHEMBL4222005 0.77 PTGDR2 (0.61) PTGDR2SLC6A4SLC6A2SLC6A3TSHR
SCHEMBL2586792 0.76 PTGDR2 (0.50) PTGDR2HTR1DHTR1BHTR1ASLC6A4
SCHEMBL195657 0.76 PTGDR2 (0.62) PTGDR2HTR1DHTR1BHTR1ASLC6A4
1,2-Diallyloxybenzene SCHEMBL29768784 0.75 HPGD (0.60) HTR1ASLC6A4CYP1A2CYP2D6ADRA1A
1,2-Diallyloxybenzene SCHEMBL366516 0.75 HPGD (0.60) HTR1ASLC6A4CYP1A2CYP2D6ADRA1A
SCHEMBL20052525 0.75 HTR2C (0.41) PTGDR2HTR1ASLC6A4ADRA2ADRD3
SCHEMBL11127696 0.75 PTGDR2 (0.60) PTGDR2HTR1DHTR1BHTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380654-A Process for the preparation of epoxides of means of microorganisms JAPAN ENERGY CORPORATION (JP) 1995-01-10 US disclosed
US-5376539-A Aerobic incubation of allyl phenyl ether with arthrobacter, brevibacterium, corynebacterium, pseudomonas or rhodococcus yields glycidyl phenyl ether NIPPON MINING CO., LTD. (JP) 1994-12-27 US disclosed
EP-0301402-B1 LEUKOTRIENE ANTAGONISTS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF ILLNESSES HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-21 EP disclosed
EP-0166527-B1 A PROCESS FOR THE PREPARATION OF EPOXIDES BY MEANS OF MICROORGANISMS NIPPON MINING COMPANY LIMITED (JP) 1991-04-03 EP disclosed
EP-0411787-A2 Microbiological production of 2,3-epoxypropyl ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-06 EP disclosed
US-4855323-A Leukotriene antagonists, a process for the preparation thereof, and the use thereof for the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed
EP-0301402-A1 Leukotriene antagonists, process for their preparation and their use in the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP disclosed
EP-0166527-A2 A process for the preparation of epoxides by means of microorganisms NIPPON MINING COMPANY LIMITED (JP) 1986-01-02 EP disclosed