SCHEMBL6201904

SCHEMBL6201904

COc1ccc(C(=O)C(OC(=O)c2ccccc2Br)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.74
▸ KMT2A Q03164 5/20 0.74
▸ MAPT P10636 4/20 0.74
▸ NPC1 O15118 3/20 0.74
▸ RAB9A P51151 3/20 0.74
▸ POLB P06746 2/20 0.74
▸ ALDH1A1 P00352 7/20 0.73
▸ NPSR1 Q6W5P4 2/20 0.69
▸ GAA P10253 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ KLK7 P49862 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ADRB2 P07550 1/20 0.45
▸ LMNA P02545 4/20 0.44
▸ MITF O75030 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44

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
SCHEMBL8066458 0.88 ALDH1A1 (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6222897 0.80 KMT2A (0.82) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1791860 0.79 MAPT (0.73) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5217880 0.76 MAPT (0.63) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL10225886 0.75 MAPT (0.71) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28538184 0.75 MMP8 (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11575471 0.74 KMT2A (0.66) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8262647 0.74 MAPT (0.77) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2456224 0.74 ALDH1A1 (0.64) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL14662953 0.74 MAPT (0.69) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 — — US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 — — EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 — — WO disclosed
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