SCHEMBL29925580

SCHEMBL29925580

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(B(O)O)nn2C1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
CYP4F2 P78329 5/20 0.33
CYP4A11 Q02928 5/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.32
ATR Q13535 2/20 0.32
PREP P48147 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
RET P07949 1/20 0.30
DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL26741104 1.00 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16100337 0.85 CYP4F2 (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL298676 0.85 CYP4F2 (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16100137 0.84 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16100139 0.84 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16100099 0.83 RXRA (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16100100 0.83 RXRA (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16099890 0.82 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16099889 0.82 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29925848 0.81 BRD4 (0.31) CNR2

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 3 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
EP-4146658-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2023-03-15 EP disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO disclosed