SCHEMBL28855475

SCHEMBL28855475

Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[C@H](C)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.41
LIPG Q9Y5X9 13/20 0.41
F11 P03951 1/20 0.38
CSF1R P07333 1/20 0.36
ROCK1 Q13464 1/20 0.36
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 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL17418864 1.00 LPL (0.41) LPLLIPGF11CSF1RROCK1
SCHEMBL30159194 1.00 LPL (0.41) LPLLIPGF11CSF1RROCK1
SCHEMBL17419172 0.87 LPL (0.42) LPLLIPGF11CA1CA2
SCHEMBL28855364 0.83 LPL (0.40) LPLLIPGF11CA1CA2
SCHEMBL21364646 0.83 LPL (0.46) LPLLIPGF11ROCK1CA1
SCHEMBL28855361 0.83 LPL (0.40) LPLLIPGF11CA1CA2
SCHEMBL28855507 0.80 CSF1R (0.44) LPLLIPGF11CSF1RCA1
SCHEMBL28855580 0.80 CSF1R (0.44) LPLLIPGF11CSF1RCA1
SCHEMBL28855673 0.80 CSF1R (0.44) LPLLIPGF11CSF1RCA1
SCHEMBL2699826 0.79 PDE2A (0.44) LPLLIPGF11CA1CA2

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