SCHEMBL9229172

SCHEMBL9229172

COC1(c2cncc(OCC#Cc3ccccc3)c2)CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.71
PTGS1 P23219 5/20 0.39
PTGS2 P35354 5/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37

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
SCHEMBL9227260 0.85 ALOX5 (0.53) ALOX5CA12CA1CA2CA7
SCHEMBL9224922 0.85 ALOX5 (0.74) ALOX5PTGS1PTGS2
SCHEMBL9228908 0.83 ALOX5 (0.71) ALOX5PTGS1PTGS2
SCHEMBL9222894 0.83 ALOX5 (0.71) ALOX5PTGS1PTGS2
SCHEMBL9228252 0.83 ALOX5 (0.71) ALOX5PTGS1PTGS2
SCHEMBL9229199 0.83 ALOX5 (0.71) ALOX5PTGS1PTGS2CA12CA1
SCHEMBL9227966 0.81 ALOX5 (0.68) ALOX5PTGS1PTGS2
SCHEMBL9222711 0.81 ALOX5 (0.67) ALOX5PTGS1PTGS2
SCHEMBL9224569 0.80 ALOX5 (0.48) ALOX5CA12CA1CA2CA7
SCHEMBL9229995 0.79 ALOX5 (0.65) ALOX5PTGS1PTGS2CA12CA1

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 5 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-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed