SCHEMBL22213477

SCHEMBL22213477

C=C(C)C(=O)OCC(COC(=O)C(C)CC(=C)C(=O)OCC(COC(=O)C(=C)C)OC(O)Nc1ccccc1-c1ccccc1)OC(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 15/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KCNQ2 O43526 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL16127811 0.77 L3MBTL1 (0.38) CHRM3L3MBTL1HTTCHRM2CHRM1
SCHEMBL19712958 0.77 CHRM3 (0.45) CHRM3L3MBTL1HTTCHRM2CHRM1
SCHEMBL22213482 0.77 L3MBTL1 (0.35) CHRM3L3MBTL1HTTCHRM2CHRM1
SCHEMBL18272058 0.77 CHRM3 (0.38) CHRM3L3MBTL1HTTCHRM2CHRM1
SCHEMBL16143851 0.70 CHRNB2 (0.43) L3MBTL1HTTMAPTALDH1A1LMNA
SCHEMBL12018024 0.70 CHRNB2 (0.49) L3MBTL1MEN1ALDH1A1LMNAKMT2A
SCHEMBL19713012 0.69 CHRM3 (0.54) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL13872067 0.69 LMNA (0.52) L3MBTL1NPSR1MAPTMEN1ALDH1A1
SCHEMBL17847442 0.67 CHRM3 (0.47) CHRM3L3MBTL1HTTCHRM2CHRM1
SCHEMBL16143796 0.66 PTPN1 (0.36) L3MBTL1NPSR1MAPTALDH1A1LMNA

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-2976323-B1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2020-07-15 — — EP disclosed
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