SCHEMBL9370985

SCHEMBL9370985

CCC1(c2cncc(OCC#Cc3ccccc3)c2)COC(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.41
CHRNB2 P17787 7/20 0.40
CHRNA3 P32297 4/20 0.40
CHRNB1 P11230 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNB3 Q05901 2/20 0.40
CHRNA4 P43681 3/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
GRM5 P41594 2/20 0.33
KCNH2 Q12809 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL9582882 0.87 ALOX5 (0.52) ALOX5CA12CA1CA2CA7
SCHEMBL9365201 0.87 ALOX5 (0.43) ALOX5CHRNB2CHRNA3CHRNB1CHRNB4
SCHEMBL9022255 0.76 ALOX5 (0.58) ALOX5GRM5KCNH2
SCHEMBL9365136 0.76 ALOX5 (0.39) ALOX5GRM5
SCHEMBL9229172 0.72 ALOX5 (0.71) ALOX5CHRNB2CHRNA4CA12CA1
SCHEMBL9365328 0.72 ALOX5 (0.43) ALOX5CA12CA1CA2CA7
SCHEMBL9227260 0.72 ALOX5 (0.53) ALOX5CHRNB2CHRNA3CHRNB1CHRNB4
SCHEMBL9224569 0.69 ALOX5 (0.48) ALOX5CHRNB2CHRNA3CHRNB1CHRNB4
SCHEMBL9365312 0.69 ALOX5 (0.40) ALOX5CHRNA3CHRNB4CA12CA1
SCHEMBL9227008 0.68 CA12 (0.50) CHRNB2CHRNA3CHRNB1CHRNB4CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375457-B1 Cyclic ether derivatives ICI PLC (GB) 1994-03-16 EP disclosed
US-5219881-A Enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
US-5098932-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC, ICI PHARMA (FR) 1992-03-24 US disclosed
EP-0375457-A2 Cyclic ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed