SCHEMBL22855352

SCHEMBL22855352

CO/C=C(\Oc1cc(N=O)ccc1C)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.33
NOTUM Q6P988 1/20 0.32
TMPRSS15 P98073 1/20 0.31
KMT2A Q03164 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL23712454 0.84 KMT2A (0.37) KMT2AMAPTALDH1A1
SCHEMBL26418733 0.82 APP (0.38) ACHEKMT2AMEN1MAPTALDH1A1
SCHEMBL22488405 0.81 SMN1; SMN2 (0.36) ACHEKMT2AMEN1MAPTALDH1A1
SCHEMBL30417256 0.81 ACHE (0.34) ACHENOTUMKMT2AMEN1MAPT
SCHEMBL23712620 0.81 ALDH1A1 (0.42) ACHENOTUMKMT2AMEN1MAPT
SCHEMBL29358995 0.81 SMN1; SMN2 (0.36) ACHEKMT2AMEN1MAPTALDH1A1
SCHEMBL21675873 0.80 ALDH1A1 (0.42) KMT2AMAPTALDH1A1
SCHEMBL8026645 0.80 NOTUM (0.40) ACHENOTUMKMT2AMEN1MAPT
SCHEMBL8026643 0.80 NOTUM (0.40) ACHENOTUMKMT2AMEN1MAPT
SCHEMBL23712445 0.78 CYP4F2 (0.40) ACHEKMT2AMEN1MAPTALDH1A1

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
WO-2020262648-A1 ACRYLIC ESTER DERIVATIVE, AND APPLICATION AND PRODUCTION INTERMEDIATE THEREOF 住友化学株式会社 2020-12-30 WO disclosed