SCHEMBL22620701

SCHEMBL22620701

CCCCCc1cc(N=O)cc(O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 13/20 0.47
▸ PTGS2 P35354 5/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ PTGES O14684 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL15944479 0.80 ALOX5 (0.61) ALOX5PTGS2PTGESMEN1TP53
SCHEMBL15229247 0.77 PTGS2 (0.55) ALOX5PTGS2PTGESMEN1TP53
SCHEMBL29596056 0.76 ALOX5 (0.56) ALOX5PTGS2CNR2PTGESMEN1
SCHEMBL17714679 0.75 PTGES (0.42) ALOX5PTGESMEN1TP53CYP3A4
SCHEMBL11573659 0.75 TYR (0.50) ALOX5PTGS2MEN1TP53CYP3A4
SCHEMBL27980745 0.71 ALOX5 (0.66) ALOX5PTGS2PTGESMEN1TP53
SCHEMBL1033550 0.70 TYR (0.47) ALOX5MEN1TP53CYP3A4MAPT
SCHEMBL10602394 0.70 ALOX5 (0.60) ALOX5PTGS2CNR2MEN1TP53
SCHEMBL28113609 0.70 ALOX5 (0.51) ALOX5PTGS2CNR2MEN1KMT2A
SCHEMBL5590550 0.70 PTGES (0.53) ALOX5CNR2PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3732994-A1 REDUCED SODIUM FOOD PRODUCTS GENERAL MILLS, INC. (US) 2020-11-04 — — EP disclosed
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