SCHEMBL29901092

SCHEMBL29901092

Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 14/20 0.44
LPL P06858 13/20 0.44
F11 P03951 1/20 0.42
ROCK1 Q13464 1/20 0.39
HIF1A Q16665 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL16831631 1.00 LIPG (0.44) LIPGLPLF11ROCK1HIF1A
SCHEMBL20875260 0.87 LIPG (0.45) LIPGLPLF11ROCK1HIF1A
SCHEMBL3226225 0.87 LIPG (0.44) LIPGLPLF11ROCK1HIF1A
SCHEMBL21236362 0.86 LIPG (0.50) LIPGLPLF11ROCK1HIF1A
SCHEMBL4815568 0.83 LPL (0.44) LIPGLPLF11ROCK1HIF1A
SCHEMBL12909234 0.83 LPL (0.44) LIPGLPLF11ROCK1HIF1A
SCHEMBL1284600 0.83 F11 (0.45) LIPGLPLF11ROCK1CA1
SCHEMBL16831556 0.82 LIPG (0.42) LIPGLPLF11ROCK1CA1
SCHEMBL30159287 0.82 LIPG (0.42) LIPGLPLF11ROCK1CA1
SCHEMBL15471367 0.82 LIPG (0.47) LIPGLPLF11ROCK1HIF1A

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-4110776-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2023-01-04 EP disclosed
CN-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 CN disclosed