SCHEMBL9182146

SCHEMBL9182146

CCC(O)(CO)c1cccc(OCOC)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.36
FYN P06241 2/20 0.35
ALOX5 P09917 6/20 0.35
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1B Q00975 1/20 0.34
DUT P33316 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9022828 0.80 CYP4F2 (0.52) TSHRCACNA1B
SCHEMBL9214800 0.79 DUT (0.37) FFAR1ALOX5HRH4HRH3DUT
SCHEMBL4751293 0.77 FYN (0.38) GRM5L3MBTL1FFAR1FYNTSHR
SCHEMBL9179775 0.76 ALOX5 (0.55) ALOX5
SCHEMBL3197958 0.76 SOD1 (0.51) L3MBTL1FFAR1ALOX5
SCHEMBL9458246 0.76 SOD1 (0.37) L3MBTL1FFAR1FYNALOX5HRH4
SCHEMBL1040476 0.74 L3MBTL1 (0.55) L3MBTL1KDM4E
SCHEMBL9185048 0.73 ALOX5 (0.38) L3MBTL1FFAR1ALOX5MAPK1CACNA1B
SCHEMBL1607526 0.73 MAOB (0.48) FFAR1TSHRMAPK1KDM4E
SCHEMBL9365359 0.72 MAOB (0.52) TSHRCACNA1B

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-0375368-B1 Alcohol and ether derivatives ZENECA LTD (GB) 1995-08-16 EP disclosed
EP-0385680-B1 Heterocyclic ethers as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1995-06-14 EP disclosed
US-5214069-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-25 US disclosed
US-5202326-A Inhibitor of enzyme 5-lipoxygenase; antiinflammatory and antiallergic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-13 US disclosed
US-5132328-A Lipoxygenase inhibitors as antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-21 US disclosed
EP-0385680-A2 Heterocyclic ethers as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0375368-A2 Alcohol and ether derivatives ZENECA LIMITED (GB) 1990-06-27 EP disclosed