SCHEMBL29925307

SCHEMBL29925307

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.38
LIPG Q9Y5X9 13/20 0.38
F11 P03951 2/20 0.35
FFAR1 O14842 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
EGFR P00533 1/20 0.33
HIF1A Q16665 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL4244671 1.00 LPL (0.38) LPLLIPGF11FFAR1HCAR1
SCHEMBL28628663 0.86 LPL (0.44) LPLLIPGF11FFAR1F2
SCHEMBL16426120 0.86 LPL (0.44) LPLLIPGF11FFAR1F2
SCHEMBL18015340 0.86 LPL (0.44) LPLLIPGF11FFAR1EGFR
SCHEMBL587884 0.86 LPL (0.44) LPLLIPGF11EGFRCA1
SCHEMBL22179707 0.79 LPL (0.39) LPLLIPGF11EGFRCA1
SCHEMBL14509140 0.79 ALDH1A1 (0.44) LPLLIPGF11FFAR1HCAR1
SCHEMBL17592829 0.78 LPL (0.49) LPLLIPGF11FFAR1HCAR1
SCHEMBL7887164 0.78 LPL (0.49) LPLLIPGEGFRCA1CA2
SCHEMBL1494499 0.78 TP53 (0.43) LPLLIPGF11EGFRCA1

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