SCHEMBL9311516

SCHEMBL9311516

CCC1OCC(CC)(c2cc(F)cc(OCc3ccccc3)c2)O1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.37
FFAR1 O14842 1/20 0.36
ADAM17 P78536 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL9366284 0.86 ALOX5 (0.46) ALOX5
SCHEMBL9022694 0.79 ALOX5 (0.64) ALOX5
SCHEMBL9365968 0.78 ALOX5 (0.44) ALOX5FFAR1PTGS1PTGS2
SCHEMBL9022697 0.77 ALOX5 (0.43) ALOX5
SCHEMBL9226863 0.70 ALOX5 (0.42) ALOX5PTGS1PTGS2
SCHEMBL9226714 0.69 ALOX5 (0.44) ALOX5FFAR1PTGS1PTGS2
SCHEMBL12707332 0.69 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL9212748 0.69 ALOX5 (0.49) ALOX5PTGS1PTGS2
SCHEMBL9212541 0.69 ALOX5 (0.49) ALOX5PTGS1PTGS2
SCHEMBL9212534 0.69 ALOX5 (0.49) ALOX5PTGS1PTGS2

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
US-5302603-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-12 US disclosed
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-5196419-A Lipoxygenase enzyme inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 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-0385679-A2 Heterocyclic cyclic ethers with inhibitory activity on 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0375457-A2 Cyclic ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed