SCHEMBL9458246

SCHEMBL9458246

COCOc1cccc(C(C)(O)COC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.34
MAOB P27338 1/20 0.34
AOC3 Q16853 1/20 0.34
FYN P06241 1/20 0.34
ALOX5 P09917 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CACNA1B Q00975 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
SCHEMBL21635605 0.83 ESR1 (0.39) L3MBTL1AOC3
SCHEMBL3197958 0.82 SOD1 (0.51) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL9458177 0.81 SOD1 (0.37) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL5417589 0.77 PKM (0.45) SOD1LMNAPKMKDM4EFFAR1
SCHEMBL1040476 0.77 L3MBTL1 (0.55) L3MBTL1LMNAPOLBPKMKDM4E
SCHEMBL9182146 0.76 GRM5 (0.39) L3MBTL1KDM4EFFAR1FYNALOX5
SCHEMBL9185048 0.76 ALOX5 (0.38) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL1607526 0.75 MAOB (0.48) LMNAKDM4EFFAR1MAOB
SCHEMBL3906704 0.75 PKM (0.43) SOD1LMNAPKMKDM4EFFAR1
SCHEMBL3420663 0.74 CHRNB2 (0.56) LMNACHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202326-A Inhibitor of enzyme 5-lipoxygenase; antiinflammatory and antiallergic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-13 US disclosed
EP-0385680-A2 Heterocyclic ethers as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1990-09-05 EP disclosed