SCHEMBL29925901

SCHEMBL29925901

CC1(C)COB(c2cc(O)cc(N3CCOCC3)c2)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
LMNA P02545 2/20 0.36
PRKDC P78527 3/20 0.35
MAPT P10636 4/20 0.34
ALOX15 P16050 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
LGMN Q99538 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL27032428 1.00 KDM4E (0.37) KDM4ELMNAPRKDCMAPTALOX15
SCHEMBL29198482 0.87 KDM4E (0.35) KDM4ELMNAPRKDCMAPTALOX15
SCHEMBL29925545 0.83 KDM4E (0.39) KDM4ELMNAPRKDCMAPTALOX15
SCHEMBL27032333 0.83 KDM4E (0.39) KDM4ELMNAPRKDCMAPTALOX15
SCHEMBL16426132 0.79 SNCA (0.35)
SCHEMBL27574767 0.74 KDM4E (0.50) KDM4ELMNAPRKDCMAPTALOX15
SCHEMBL5443641 0.74 KDM4E (0.50) KDM4ELMNAPRKDCMAPTALOX15
SCHEMBL16426137 0.72 SNCA (0.32)
SCHEMBL25717573 0.71 KDM4E (0.35) KDM4ELMNAPRKDCMAPTALOX15
SCHEMBL2538252 0.70 SNCA (0.38)

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
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO disclosed