SCHEMBL22213482

SCHEMBL22213482

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CHRM3 P20309 16/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 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 0.95 L3MBTL1 (0.38) L3MBTL1HTTCHRM3CHRM2CHRM1
SCHEMBL18272058 0.91 CHRM3 (0.38) L3MBTL1HTTCHRM3CHRM2CHRM1
SCHEMBL18269756 0.82 LMNA (0.42) L3MBTL1HTTMAPTMEN1ALDH1A1
SCHEMBL16127934 0.80 SCN1A (0.40) MEN1LMNAKMT2A
SCHEMBL20885165 0.78 MTNR1A (0.33) KMT2A
SCHEMBL22213477 0.77 CHRM3 (0.35) L3MBTL1HTTCHRM3CHRM2CHRM1
SCHEMBL17036157 0.75 LMNA (0.38) L3MBTL1MAPTMEN1ALDH1A1LMNA
SCHEMBL19712958 0.75 CHRM3 (0.45) L3MBTL1HTTCHRM3CHRM2CHRM1
SCHEMBL11920351 0.72 MTNR1A (0.36) HTT
SCHEMBL11920353 0.72 AR (0.41) HTTMAPTMEN1LMNAKMT2A

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
Send feedback