SCHEMBL5332795

SCHEMBL5332795

CC1(C)OB(c2cccc(COC(N)=O)c2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.52
LPL P06858 4/20 0.52
F11 P03951 3/20 0.42
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
HIF1A Q16665 2/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
ROCK1 Q13464 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL29011934 0.88 LIPG (0.53) LIPGLPLF11HIF1AROCK1
SCHEMBL19743449 0.83 LIPG (0.49) LIPGLPLF11HIF1AROCK1
SCHEMBL24213044 0.83 LIPG (0.49) LIPGLPLF11HIF1AROCK1
SCHEMBL5336869 0.83 F11 (0.56) LIPGLPLF11F2PRSS1
SCHEMBL901566 0.82 LIPG (0.56) LIPGLPLF11F2PRSS1
SCHEMBL30858793 0.82 LIPG (0.56) LIPGLPLF11F2PRSS1
SCHEMBL14934888 0.80 KEAP1 (0.46) LIPGLPLCA1CA2CA9
SCHEMBL25365190 0.80 F11 (0.38) LIPGLPLF11F2PRSS1
SCHEMBL1744642 0.80 LIPG (0.60) LIPGLPLF11CA1CA2
SCHEMBL26896299 0.79 LIPG (0.45) LIPGLPLHDAC3HDAC4HDAC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164499-A Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-12-05 CN disclosed
CN-112272553-B Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-09-22 CN disclosed
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 CN disclosed
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2013067349-A1 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2013-05-10 WO disclosed
WO-2007062459-A1 SELECTIVE KINASE INHIBITORS BASED ON PYRIDINE SCAFFOLD CYTOPIA RESEARCH PTY LTD (AU) 2007-06-07 WO disclosed
EP-1638964-A1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-03-29 EP disclosed
WO-2004113331-A1 NOVEL COMPOUNDS THAT MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-29 WO disclosed