SCHEMBL6008836

SCHEMBL6008836

CC(=O)N(O)C(C)C=Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.66
▸ MAPT P10636 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ TP53 P04637 1/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ ALOX12 P18054 1/20 0.66
▸ NFKB1 P19838 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ HIF1A Q16665 1/20 0.66
▸ BLM P54132 1/20 0.66

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
SCHEMBL6008840 1.00 ALOX5 (0.66) ALOX5MAPTMEN1KMT2ALMNA
SCHEMBL6008832 1.00 ALOX5 (0.66) ALOX5MAPTMEN1KMT2ALMNA
SCHEMBL9781098 0.91 ALOX5 (0.65) ALOX5MAPTMEN1KMT2ALMNA
SCHEMBL9781095 0.91 ALOX5 (0.65) ALOX5MAPTMEN1KMT2ALMNA
SCHEMBL9781074 0.90 ALOX5 (0.81) ALOX5MAPTMEN1KMT2ALMNA
SCHEMBL1489129 0.90 ALOX5 (0.81) ALOX5MAPTMEN1KMT2ALMNA
SCHEMBL9781062 0.90 ALOX5 (0.64) ALOX5MAPTMEN1KMT2ALMNA
SCHEMBL9781091 0.90 ALOX5 (0.64) ALOX5MAPTMEN1KMT2ALMNA
SCHEMBL9781071 0.90 ALOX5 (0.81) ALOX5MAPTMEN1KMT2ALMNA
SCHEMBL9781061 0.90 ALOX5 (0.64) ALOX5MAPTMEN1KMT2ALMNA

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-7132441-B2 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor G.D. SEARLE & CO. (US) 2006-11-07 — — US disclosed
US-6376528-B1 SYNERGISTIC MIXTURE G. D. SEARLE & CO. 2002-04-23 — — US disclosed
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