SCHEMBL9227262

SCHEMBL9227262

Brc1ccc(OCc2ccc3ccccc3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.64
ALOX5 P09917 2/20 0.58
APP P05067 1/20 0.56
MAOB P27338 5/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
CYP2A6 P11509 1/20 0.50
MAOA P21397 1/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
PLA2G4B P0C869 1/20 0.48

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
SCHEMBL10400372 0.91 RAB9A (0.74) RAB9AALOX5MAOBMRGPRX4CYP2A6
SCHEMBL31307773 0.86 RAB9A (0.64) RAB9AALOX5MAOBMRGPRX4CYP2A6
SCHEMBL12938497 0.85 ALOX5 (0.78) RAB9AALOX5MAOBMRGPRX4CYP2A6
SCHEMBL8994871 0.85 RAB9A (0.67) RAB9AALOX5APPMAOBMRGPRX4
SCHEMBL10896488 0.84 RAB9A (0.66) RAB9AALOX5APPMAOBMRGPRX4
SCHEMBL8162254 0.83 MAOB (0.72) RAB9AALOX5MAOBMRGPRX4MAOA
Alcohol SCHEMBL29227183 0.82 ALOX5 (0.63) RAB9AALOX5APPMAOBMRGPRX4
SCHEMBL8081412 0.82 RAB9A (0.64) RAB9AALOX5MAOBMRGPRX4CYP2A6
SCHEMBL14191435 0.82 RAB9A (0.64) RAB9AALOX5MAOBMRGPRX4CYP2A6
SCHEMBL13463058 0.82 CYP1A2 (0.66) RAB9AALOX5MAOBMRGPRX4RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5403859-A PHENYLENE-CYCLIC ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-04 US disclosed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP disclosed
US-5234950-A Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 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
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0375368-A2 Alcohol and ether derivatives ZENECA LIMITED (GB) 1990-06-27 EP disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed