SCHEMBL29926019

SCHEMBL29926019

C[C@H](O)COCCCOc1ccc2c(cnn2C2CCCCO2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
CYP4F2 P78329 6/20 0.38
CYP4A11 Q02928 6/20 0.38
HRH3 Q9Y5N1 2/20 0.36
BRD4 O60885 1/20 0.35
PDE3B Q13370 4/20 0.34
PDE3A Q14432 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
P2RY12 Q9H244 3/20 0.34
PDE2A O00408 2/20 0.34
IDH1 O75874 1/20 0.34
PRMT5 O14744 1/20 0.34
ABL1 P00519 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL27130754 1.00 RXRA (0.52) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27032492 1.00 RXRA (0.52) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27128981 0.86 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27032437 0.86 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27032545 0.84 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29926005 0.84 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27131515 0.84 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27031932 0.84 RXRA (0.51) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24638314 0.83 RXRA (0.53) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16569663 0.77 RXRA (0.51) RXRARXRBRXRGCYP4F2CYP4A11

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