SCHEMBL29901060

SCHEMBL29901060

CC1(C)OB(c2cc(CO)cc(C(F)(F)F)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 10/20 0.38
LPL P06858 9/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
F11 P03951 3/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
FFAR1 O14842 1/20 0.35
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
ESR2 Q92731 1/20 0.31
IDO1 P14902 2/20 0.31

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
SCHEMBL28855398 1.00 LIPG (0.38) LIPGLPLRXRARXRBRXRG
SCHEMBL5077943 0.84 LPL (0.43) LIPGLPLF11F2PRSS1
SCHEMBL15649639 0.80 F11 (0.40) LIPGLPLF11F2PRSS1
SCHEMBL15000479 0.80 LIPG (0.45) LIPGLPLF11F2PRSS1
SCHEMBL29052780 0.79 LPL (0.34) LIPGLPLF11F2PRSS1
SCHEMBL14994064 0.78 FFAR1 (0.39) LIPGLPLF11F2PRSS1
SCHEMBL1639345 0.78 ALDH1A1 (0.47)
SCHEMBL13468810 0.78 LPL (0.39) LIPGLPLF11F2PRSS1
SCHEMBL16419768 0.78 LPL (0.39) LIPGLPLF11F2PRSS1
SCHEMBL4430468 0.78 LPL (0.46) LIPGLPLF11F2PRSS1

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