SCHEMBL9367698

SCHEMBL9367698

COC1(c2cc(F)cc(SCc3ccccc3)c2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.47
PTGS2 P35354 6/20 0.46
PTGS1 P23219 5/20 0.46

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
SCHEMBL9368681 0.85 ALOX5 (0.35) ALOX5PTGS2PTGS1
SCHEMBL9367759 0.82 ALOX5 (0.39) ALOX5
SCHEMBL9259112 0.82 ALOX5 (0.43) ALOX5
SCHEMBL9250218 0.81 ALOX5 (0.42) ALOX5
SCHEMBL9254294 0.81 ALOX5 (0.41) ALOX5
SCHEMBL9367706 0.81 ALOX5 (0.50) ALOX5PTGS2PTGS1
SCHEMBL9258570 0.80 ALOX5 (0.45) ALOX5PTGS1
SCHEMBL9029002 0.78 ALOX5 (0.70) ALOX5PTGS2PTGS1
SCHEMBL9440485 0.77 ALOX5 (0.44) ALOX5PTGS2PTGS1
SCHEMBL7481034 0.76 ALOX5 (0.53) ALOX5PTGS2PTGS1

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