SCHEMBL9022255

SCHEMBL9022255

CCC1(c2cccc(OCC#Cc3ccccn3)c2)COC(C)(C)O1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.58
GRM5 P41594 13/20 0.55
KCNH2 Q12809 1/20 0.34
ADAM17 P78536 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) ALOX5GRM5KCNH2ADAM17
SCHEMBL9022908 0.76 ALOX5 (0.57) ALOX5ADAM17
SCHEMBL9370985 0.76 ALOX5 (0.41) ALOX5GRM5KCNH2
SCHEMBL9365136 0.74 ALOX5 (0.39) ALOX5GRM5
SCHEMBL9213851 0.73 ALOX5 (1.00) ALOX5GRM5
SCHEMBL9366361 0.73 ALOX5 (0.74) ALOX5ADAM17
SCHEMBL5698315 0.72 GRM5 (1.00) ALOX5GRM5
SCHEMBL9218764 0.71 ALOX5 (0.67) ALOX5GRM5ADAM17
SCHEMBL9124587 0.71 ALOX5 (0.61) ALOX5GRM5ADAM17
SCHEMBL9124584 0.71 ALOX5 (0.61) ALOX5GRM5ADAM17

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-0385679-B1 Heterocyclic cyclic ethers with inhibitory activity on 5-lipoxygenase ZENECA LTD (GB) 1996-04-24 EP claimed
US-5302603-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-12 US claimed
EP-0385679-A2 Heterocyclic cyclic ethers with inhibitory activity on 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0385679-B1 Heterocyclic cyclic ethers with inhibitory activity on 5-lipoxygenase ZENECA LTD (GB) 1996-04-24 EP disclosed
US-5302603-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-12 US disclosed
US-5196419-A Lipoxygenase enzyme inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0385679-A2 Heterocyclic cyclic ethers with inhibitory activity on 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed