SCHEMBL30479018

SCHEMBL30479018

COc1cc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)ccc1N1CCC(CO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
LRRK2 Q5S007 1/20 0.37
GRM5 P41594 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
HTR7 P34969 1/20 0.37
ACHE P22303 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
BRD4 O60885 1/20 0.36
MET P08581 1/20 0.36
AXL P30530 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
MGAM O43451 1/20 0.36

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
SCHEMBL25940006 1.00 ITGB2 (0.38) ITGB2ICAM1ITGALLRRK2GRM5
SCHEMBL25935357 0.92 ITGB2 (0.39) ITGB2ICAM1ITGALLRRK2EHMT2
SCHEMBL25034764 0.89 GRM5 (0.38) LRRK2GRM5HRH4FFAR4
SCHEMBL30475431 0.89 GRM5 (0.38) LRRK2GRM5HRH4FFAR4
SCHEMBL29013203 0.89 NEK2 (0.43) ITGB2ICAM1ITGALGRM5GPR84
SCHEMBL25031334 0.87 FFAR4 (0.47) LRRK2GRM5FFAR4
SCHEMBL30479023 0.85 HPGD (0.49) MAPTMAPK1
SCHEMBL25940005 0.85 HPGD (0.49) MAPTMAPK1
SCHEMBL23983537 0.84 LRRK2 (0.44) LRRK2GRM5MAPK1HRH4
SCHEMBL24670613 0.84 LRRK2 (0.46) LRRK2EHMT2MAPTMAPK1GPR84

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed