SCHEMBL25875321

SCHEMBL25875321

CC1(C)OB(c2cccc(-c3ccc(C(=N)OC(=N)c4ccccc4)cc3)c2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.52
LPL P06858 8/20 0.52
P4HB P07237 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
DGAT1 O75907 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
WDR5 P61964 1/20 0.33
SNCA P37840 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32

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
SCHEMBL24150649 0.84 LIPG (0.51) LIPGLPLP4HBPRSS1PRSS2
SCHEMBL13700830 0.84 LIPG (0.73) LIPGLPLP4HBKEAP1NFE2L2
SCHEMBL15197437 0.84 LIPG (0.73) LIPGLPLP4HBKEAP1NFE2L2
SCHEMBL30065945 0.84 LIPG (0.73) LIPGLPLP4HBKEAP1NFE2L2
SCHEMBL15197431 0.82 LIPG (0.71) LIPGLPLP4HBKEAP1NFE2L2
SCHEMBL22167036 0.82 LIPG (0.71) LIPGLPLP4HBKEAP1NFE2L2
SCHEMBL15197460 0.82 LIPG (0.71) LIPGLPLP4HBKEAP1NFE2L2
SCHEMBL15458608 0.82 LIPG (0.71) LIPGLPLP4HBKEAP1NFE2L2
SCHEMBL3362199 0.82 LIPG (0.70) LIPGLPLP4HBKEAP1NFE2L2
SCHEMBL29634298 0.82 LIPG (0.70) LIPGLPLP4HBKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023140649-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-27 WO disclosed