SCHEMBL9367759

SCHEMBL9367759

OC1(c2cc(F)cc(SCc3ccccc3)c2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.39
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ICMT O60725 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
OPRL1 P41146 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL9367698 0.82 ALOX5 (0.47) ALOX5
SCHEMBL9367762 0.79 ALOX5 (0.41) ALOX5ICMTOPRL1OPRM1OPRD1
SCHEMBL8551875 0.76 ALOX5 (0.59) ALOX5
SCHEMBL9458357 0.75 ALOX5 (0.41) ALOX5
SCHEMBL7479848 0.74 HDAC3 (0.43) ALOX5KMT2AICMTOPRL1OPRM1
SCHEMBL9368681 0.70 ALOX5 (0.35) ALOX5
SCHEMBL22531477 0.69 TSHR (0.42) HTTMAOAMAOBDAO
SCHEMBL8547366 0.69 ALOX5 (0.52) ALOX5
SCHEMBL9458222 0.69 ALOX5 (0.36) ALOX5
SCHEMBL1599387 0.69 ALOX5 (0.42) ALOX5OPRL1OPRM1OPRD1OPRK1

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
EP-0420511-B1 Heterocyclic derivatives ICI PLC (GB) 1994-08-17 EP disclosed
US-5302594-A Antiinflammatory agents; antiallergenic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-12 US disclosed
US-5258399-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US disclosed
US-5236948-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5221677-A For treating diseases mediated by leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-22 US disclosed
EP-0495594-A1 Sulphonamide derivatives ZENECA LIMITED (GB) 1992-07-22 EP disclosed
EP-0420511-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP disclosed