SCHEMBL25845561

SCHEMBL25845561

c1ccc(-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccc6c7c(cccc57)-c5ccccc5-6)nc(-c5cccc6oc7ccccc7c56)n4)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.37
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
PLA2G2A P14555 3/20 0.36
PLA2G4A P47712 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TTR P02766 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ATM Q13315 2/20 0.34
PLA2G10 O15496 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL23819357 0.96 L3MBTL1 (0.34) HCRTR1MMP12MMP13PLA2G2APLA2G4A
SCHEMBL24991074 0.93 L3MBTL1 (0.33) HCRTR1MMP12MMP13PLA2G2APLA2G4A
SCHEMBL24930706 0.93 PLA2G2A (0.40) PLA2G2APLA2G4AL3MBTL1ALDH1A1HPGD
SCHEMBL24656664 0.93 HCRTR1 (0.37) HCRTR1MMP12MMP13PLA2G2APLA2G4A
SCHEMBL24930211 0.93 AHR (0.38) HCRTR1MMP12MMP13L3MBTL1ALDH1A1
SCHEMBL24930849 0.93 PLA2G2A (0.37) PLA2G2APLA2G4AL3MBTL1ALDH1A1HPGD
SCHEMBL25845786 0.92 ALDH1A1 (0.34) HCRTR1MMP12MMP13L3MBTL1ALDH1A1
SCHEMBL23819395 0.92 ALOX5 (0.34) HCRTR1L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL23819645 0.92 MAPT (0.34) HCRTR1MMP12MMP13PLA2G2APLA2G4A
SCHEMBL24930837 0.91 MAPT (0.37) PLA2G2APLA2G4AL3MBTL1ALDH1A1HPGD

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed