SCHEMBL22855341

SCHEMBL22855341

BOc1ccc(C)c(O/C(=C\O)C(=O)OC)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 2/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NOTUM Q6P988 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL29877605 0.80 SMN1; SMN2 (0.37) ACHEKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21858354 0.80 SMN1; SMN2 (0.37) ACHEKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8024245 0.79 NOTUM (0.41) ACHEKMT2AKDM4EALDH1A1RAB9A
SCHEMBL8024241 0.79 NOTUM (0.41) ACHEKMT2AKDM4EALDH1A1RAB9A
SCHEMBL31432791 0.77 AR (0.41)
SCHEMBL29106882 0.74 PDE4B (0.39)
SCHEMBL29890735 0.74 PDE4B (0.39)
SCHEMBL30598396 0.74 PDE4B (0.39)
SCHEMBL29891091 0.73 PDE4B (0.38) TDP1KMT2AKDM4ESMN1; SMN2
SCHEMBL27082810 0.73 PDE4B (0.38) TDP1KMT2AKDM4ESMN1; SMN2

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