SCHEMBL27451387

SCHEMBL27451387

CC(C)(O)C(C)(C)OBc1cccc2oc3ccc(-c4ccccc4)cc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 4/20 0.36
▸ PLA2G4A P47712 4/20 0.36
▸ PLA2G10 O15496 1/20 0.35
▸ PRKDC P78527 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAT2A P31153 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ ANO1 Q5XXA6 2/20 0.31
▸ HSP90AA1 P07900 1/20 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
SCHEMBL19802261 1.00 PLA2G2A (0.36) PLA2G2APLA2G4APLA2G10PRKDCGAA
SCHEMBL27452466 0.95 MMP12 (0.34) PLA2G2APLA2G4APLA2G10GAAL3MBTL1
SCHEMBL27451578 0.92 HSP90AA1 (0.33) PLA2G2APLA2G4APLA2G10HSP90AA1HSP90AB1
SCHEMBL20391904 0.92 PLA2G2A (0.34) PLA2G2APLA2G4APLA2G10GAAL3MBTL1
SCHEMBL27451582 0.91 MMP12 (0.33) PRKDCALDH1A1ADRB2
SCHEMBL27452078 0.90 ANO1 (0.33) ANO1
SCHEMBL27452077 0.87 ABCG2 (0.34) GAAL3MBTL1ALDH1A1MAPT
SCHEMBL27452430 0.86 ALOX5 (0.39) GAAL3MBTL1MAPTADRB2HSP90AA1
SCHEMBL27452371 0.86 CDC14B (0.34) PLA2G2APLA2G4APLA2G10GAAL3MBTL1
SCHEMBL19802352 0.85 ADRB2 (0.41) GAAL3MBTL1ALDH1A1MAPTADRB2

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
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