SCHEMBL7294198

SCHEMBL7294198

COC(c1ccccc1)C1CO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.55
SLC6A3 Q01959 6/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
IDO1 P14902 4/20 0.42
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
MLNR O43193 1/20 0.38
ADRB2 P07550 1/20 0.38
HTR2C P28335 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3687682 0.85 IDO1 (0.44) EPHX1SLC6A3SLC6A2SLC6A4IDO1
SCHEMBL151181 0.85 IDO1 (0.44) EPHX1SLC6A3SLC6A2SLC6A4IDO1
SCHEMBL27376966 0.83 IDO1 (0.42) EPHX1SLC6A3SLC6A2SLC6A4IDO1
SCHEMBL38651360 0.82 IDO1 (0.60) EPHX1SLC6A3SLC6A2SLC6A4IDO1
SCHEMBL8040610 0.81 IDO1 (0.38) EPHX1SLC6A3SLC6A2SLC6A4IDO1
SCHEMBL11392947 0.81 SLC6A2 (0.67) SLC6A3SLC6A2SLC6A4CHRM2CHRM1
SCHEMBL10969259 0.80 SLC6A2 (0.45) SLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL13744161 0.80 SLC6A2 (0.45) SLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL13743615 0.80 SLC6A2 (0.45) SLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL11015185 0.80 CA12 (0.42) SLC6A4MEN1ALDH1A1CYP2D6MAPK1

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
JP-61202698-A None JP disclosed
US-6048991-A Preparation of epoxides BASF AKTIENGESELLSCHAFT (DE) 2000-04-11 US disclosed
US-5916430-A Preparation of epoxides BASF AKTIENGESELLSCHAFT (DE) 1999-06-29 US disclosed
EP-0485783-B1 Process for producing epoxy compounds BASF AG (DE) 1995-01-11 EP disclosed
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-0327455-B1 ALKYL OR BENZYL ETHERS OF PHENOL, PROCESSES FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE DELALANDE S.A. (FR) 1992-09-16 EP disclosed
EP-0485783-A2 Process for producing epoxy compounds BASF Aktiengesellschaft (DE) 1992-05-20 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
US-4971995-A INHIBITORS OF MONOAMINE OXIDASE, NEUROLOGICAL DISORDERS, AGING, MEMORY PROBLEMS, SCHIZOPHRENIA, PSYDHAESTHINIA, PARKINSON*S DISEASE DELANDE S.A. (FR) 1990-11-20 US disclosed
EP-0327455-A1 Alkyl or benzyl ethers of phenol, processes for their preparation and their therapeutical use DELALANDE S.A. (FR) 1989-08-09 EP disclosed
JP-S61202698-A PRODUCTION OF OPTICALLY ACTIVE PHENYLMETHOXY-METHYLOXIRANE NIPPON MINING CO LTD 1986-09-08 JP 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