SCHEMBL29925545

SCHEMBL29925545

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
PRKDC P78527 3/20 0.37
MAPT P10636 4/20 0.36
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LGMN Q99538 1/20 0.35
LMNA P02545 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL27032333 1.00 KDM4E (0.39) KDM4EPRKDCMAPTALOX15HSD17B10
SCHEMBL16795129 0.86 MAOB (0.36) KDM4EMAPTKMT2AESR1ESR2
SCHEMBL29198482 0.84 KDM4E (0.35) KDM4EPRKDCMAPTALOX15HSD17B10
SCHEMBL29925901 0.83 KDM4E (0.37) KDM4EPRKDCMAPTALOX15HSD17B10
SCHEMBL27032428 0.83 KDM4E (0.37) KDM4EPRKDCMAPTALOX15HSD17B10
SCHEMBL3758794 0.83 LPL (0.40) KDM4EMAPTALOX15HSD17B10MEN1
SCHEMBL10209954 0.81 KMO (0.50) KDM4EPRKDCMAPTHSD17B10MEN1
SCHEMBL24269757 0.80 KDM4E (0.35) KDM4EPRKDCMAPTALOX15HSD17B10
SCHEMBL3758875 0.80 KDM4E (0.38) KDM4EPRKDCMAPTHSD17B10MEN1
SCHEMBL31125907 0.80 KDM4E (0.38) KDM4EPRKDCMAPTHSD17B10MEN1

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