SCHEMBL29198482

SCHEMBL29198482

CC1(C)COB(c2cc(O)cc(N3CCOCC3)c2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
PRKDC P78527 7/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
ALOX15 P16050 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
LGMN Q99538 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL29925901 0.87 KDM4E (0.37) KDM4EPRKDCMAPTMEN1ALOX15
SCHEMBL27032428 0.87 KDM4E (0.37) KDM4EPRKDCMAPTMEN1ALOX15
SCHEMBL25717573 0.85 KDM4E (0.35) KDM4EPRKDCMAPTMEN1ALOX15
SCHEMBL27032333 0.84 KDM4E (0.39) KDM4EPRKDCMAPTMEN1ALOX15
SCHEMBL29925545 0.84 KDM4E (0.39) KDM4EPRKDCMAPTMEN1ALOX15
SCHEMBL27574767 0.72 KDM4E (0.50) KDM4EPRKDCMAPTMEN1ALOX15
SCHEMBL5443641 0.72 KDM4E (0.50) KDM4EPRKDCMAPTMEN1ALOX15
SCHEMBL16795129 0.70 MAOB (0.36) KDM4EMAPTKMT2AESR1ESR2
SCHEMBL24269757 0.68 KDM4E (0.35) KDM4EPRKDCMAPTMEN1ALOX15
SCHEMBL9232165 0.68 LMNA (0.57) KDM4EPRKDCMAPTMEN1ALOX15

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
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed