SCHEMBL9214604

SCHEMBL9214604

C1=C(c2cccc(OCc3ccccc3)c2)CCOC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.51
PRKDC P78527 2/20 0.47
ATM Q13315 1/20 0.47
MAOB P27338 5/20 0.46
MAOA P21397 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BCHE P06276 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
NR4A2 P43354 1/20 0.43
BRD4 O60885 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL2019836 0.86 GSTP1 (0.48) PRKDCMAOBMAOABCHENR4A2
SCHEMBL31398138 0.84 MAOB (0.46) FABP7PRKDCATMMAOBMAOA
SCHEMBL5266330 0.80 MAOB (0.49) PRKDCATMMAOBMAOAMRGPRX4
SCHEMBL30317738 0.80 MAOB (0.49) PRKDCATMMAOBMAOAMRGPRX4
SCHEMBL31398157 0.79 CTSV (0.40) FABP7ATMMAOBALDH1A1
SCHEMBL21667913 0.78 TSHR (0.50) ALDH1A1
SCHEMBL24460871 0.77 GRIN1 (0.43) PRKDCATMMAOBMAOAMRGPRX4
SCHEMBL3540686 0.76 MAOB (0.46) PRKDCMAOBMAOAMRGPRX4CYP4F2
SCHEMBL379281 0.76 MAOB (0.67) MAOBMAOAMRGPRX4CYP4F2CYP4A11
SCHEMBL18857842 0.76 MAPK14 (0.47) FABP7ATMPIK3CDPIK3CA

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
CN-1031266-C Process for preparation of heterocycle ether derivatives ZENECA LTD (GB) 1996-03-13 CN disclosed
EP-0385662-B1 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LTD (GB) 1995-12-13 EP disclosed
US-5403859-A PHENYLENE-CYCLIC ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-04 US disclosed
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5234950-A Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
US-5098930-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US disclosed
CN-1046903-A Process for preparing heterocyclic ether derivatives ICI PLC (GB) 1990-11-14 CN disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed