SCHEMBL22028068

SCHEMBL22028068

Cc1cn(Cc2ccc(C3CO3)cc2)c(=O)n(Cc2ccc(C3CO3)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SLC5A1 P13866 1/20 0.36
▸ SLC5A2 P31639 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TRPC5 Q9UL62 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ C5AR1 P21730 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL22067844 0.79 L3MBTL1 (0.47) L3MBTL1TP53MAPTTRPC5
SCHEMBL7822161 0.78 L3MBTL1 (0.56) BRD4L3MBTL1MAPTC5AR1
SCHEMBL22028066 0.75 MAPT (0.48) L3MBTL1TP53MAPTTRPC5
SCHEMBL6215297 0.68 HPGD (0.49) BRD4L3MBTL1C5AR1
SCHEMBL19660075 0.68 KDM4E (0.44) L3MBTL1TP53MAPTRXFP1
SCHEMBL10921503 0.67 TP53 (0.52) BRD4TP53MAPT
SCHEMBL6283595 0.67 L3MBTL1 (0.50) L3MBTL1TRPA1C5AR1
SCHEMBL13833766 0.67 MEN1 (0.55) —
SCHEMBL14208536 0.66 MAPT (0.56) TP53MAPTTRPC5
SCHEMBL7830310 0.66 MEN1 (0.48) BRD4L3MBTL1MAPTC5AR1

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-20200181317-A1 Bisphenol A-Free Crosslinked Polymer Composition WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2020-06-11 — — US disclosed
US-20200181317-A1 Bisphenol A-Free Crosslinked Polymer Composition WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2020-06-11 — — US disclosed
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