SCHEMBL27334448

SCHEMBL27334448

CC(C)(O)C(C)(C)OBc1cccc2oc3cccc(-c4ccc5c(c4)oc4ccccc45)c3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ GGPS1 O95749 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ KMT2A Q03164 5/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ HPGD P15428 4/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ MMP12 P39900 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ GAA P10253 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL27334322 0.94 HSP90AA1 (0.40) ALOX5HSP90AA1HSP90AB1GGPS1AHR
SCHEMBL27334209 0.86 ADRB2 (0.37) KMT2AMEN1ADRB2NPC1MAOA
SCHEMBL27451547 0.85 PTGER1 (0.30) —
SCHEMBL22884331 0.85 ADRB2 (0.32) ADRB2
SCHEMBL27334513 0.84 ALOX5 (0.41) ALOX5PRKDCGGPS1KMT2AMEN1
SCHEMBL27452428 0.84 ALOX5 (0.47) ALOX5HSP90AA1HSP90AB1PRKDCGGPS1
SCHEMBL22147270 0.83 HSP90AA1 (0.31) ALOX5HSP90AA1HSP90AB1
SCHEMBL27451582 0.83 MMP12 (0.33) PRKDCKMT2AMEN1HPGDKDM4E
SCHEMBL27452466 0.83 MMP12 (0.34) HSP90AA1HSP90AB1KMT2AMEN1HPGD
SCHEMBL27451578 0.83 HSP90AA1 (0.33) ALOX5HSP90AA1HSP90AB1GGPS1

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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