SCHEMBL22972829

SCHEMBL22972829

CC(=CCCNC(=O)OCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.36
AKT1 P31749 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 1/20 0.32
ACHE P22303 5/20 0.32
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL22972828 1.00 MGLL (0.36) MGLLAKT1ALDH1A1CYP1A2HPGD
SCHEMBL22972832 0.82 OPRM1 (0.43) MGLLAKT1ALDH1A1HPGDPTGS1
SCHEMBL4834215 0.80 ACHE (0.36) ALDH1A1ACHE
SCHEMBL22972833 0.78 PTGS1 (0.43) MGLLALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL22972834 0.78 PTGS1 (0.43) MGLLALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL13799114 0.76 ACHE (0.60) MGLLPTGS1PTGS2ACHE
SCHEMBL4141287 0.75 MGLL (0.47) MGLLAKT1ALDH1A1CYP1A2HPGD
SCHEMBL17767404 0.74 MGLL (0.38) MGLLAKT1ALDH1A1CYP1A2HPGD
SCHEMBL29185 0.74 ACHE (0.54) ACHE
SCHEMBL13811888 0.73 MGLL (0.42) MGLLAKT1ALDH1A1HPGDPTGS1

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-3221698-B1 POROUS MEMBRANES WITH A POLYMER GRAFTING, METHODS AND USES THEREOF Global Life Sciences Solutions Operations UK Ltd (GB) 2021-02-17 EP claimed