SCHEMBL27451692

SCHEMBL27451692

CC(C)(O)C(C)(C)OBc1ccc2oc3cc(-c4cccc(-c5ccccc5)c4)ccc3c2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ANO1 Q5XXA6 3/20 0.32
PLA2G2A P14555 4/20 0.32
PLA2G4A P47712 4/20 0.32
PLA2G10 O15496 1/20 0.32
PRKDC P78527 1/20 0.31
LMNA P02545 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL27452035 0.94 PLA2G2A (0.35) MMP12MMP13GAAL3MBTL1ANO1
SCHEMBL23018907 0.94 MMP12 (0.37) MMP12MMP13GAAL3MBTL1ALDH1A1
SCHEMBL27451388 0.92 PLA2G2A (0.36) GAAL3MBTL1ALDH1A1ANO1PLA2G2A
SCHEMBL26155965 0.87 RAB9A (0.37) MMP12MMP13GAAALDH1A1MAPT
SCHEMBL21755961 0.87 HSP90AA1 (0.35) MMP12MMP13GAAL3MBTL1ALDH1A1
SCHEMBL22924260 0.87 CHEK2 (0.36) MMP12MMP13GAAALDH1A1MAPT
SCHEMBL22146843 0.87 CHEK2 (0.32) LMNA
SCHEMBL21755956 0.86 MMP12 (0.34) MMP12MMP13GAAL3MBTL1ALDH1A1
SCHEMBL27256789 0.85 HSP90AA1 (0.39) MMP12MMP13L3MBTL1ALDH1A1MAPT
SCHEMBL24065324 0.85 ALDH1A1 (0.31) ALDH1A1MAPTPLA2G2APLA2G4A

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-2024144086-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2024-07-04 WO disclosed