SCHEMBL27334322

SCHEMBL27334322

CC(C)(O)C(C)(C)OBc1cccc2oc3cccc(-c4ccc5oc6ccccc6c5c4)c3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ ALOX5 P09917 2/20 0.37
▸ GGPS1 O95749 1/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ GAA P10253 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ AHR P35869 1/20 0.30
▸ CHEK2 O96017 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
SCHEMBL27334448 0.94 ALOX5 (0.37) HSP90AA1HSP90AB1ALOX5GGPS1KMT2A
SCHEMBL27452428 0.89 ALOX5 (0.47) HSP90AA1HSP90AB1ALOX5GGPS1KMT2A
SCHEMBL27451578 0.87 HSP90AA1 (0.33) HSP90AA1HSP90AB1ALOX5GGPS1
SCHEMBL27334209 0.86 ADRB2 (0.37) KMT2AMEN1NPC1ADRB2
SCHEMBL22147270 0.85 HSP90AA1 (0.31) HSP90AA1HSP90AB1ALOX5
SCHEMBL23333479 0.85 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALOX5KMT2AMAPT
SCHEMBL27451547 0.85 PTGER1 (0.30) —
SCHEMBL27452430 0.85 ALOX5 (0.39) HSP90AA1HSP90AB1ALOX5GGPS1KMT2A
SCHEMBL22884331 0.85 ADRB2 (0.32) ADRB2
SCHEMBL27334513 0.84 ALOX5 (0.41) ALOX5GGPS1KMT2AMEN1ADRB2

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-2024085588-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2024-04-25 — — WO disclosed
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