SCHEMBL25271741

SCHEMBL25271741

COc1ccc(-c2cc(-c3ccc(OC)cc3)c3ccc4c(-c5ccc(OC)cc5)c(O)c(-c5ccc(OC)cc5)c5ccc2c3c54)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ GRK6 P43250 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ BACE1 P56817 2/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.46
▸ ACLY P53396 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TP53 P04637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL25226274 0.90 ESR2 (0.52) BACE1HDAC4HDAC2HDAC8ACLY
SCHEMBL13251023 0.86 ABL1 (0.52) GAAPOLBGRK6BLMGFER
SCHEMBL25271592 0.85 ABL1 (0.42) GAAPOLBGRK6BLMGFER
SCHEMBL13251065 0.80 ACACA (0.59) BACE1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL25223726 0.79 CNR1 (0.40) NOD2SMN1; SMN2TP53NPC1RAB9A
SCHEMBL15945801 0.79 NOD2 (0.43) GAAPOLBGRK6BLMGFER
SCHEMBL13251086 0.78 NPC1 (0.49) NOD2NPC1RAB9AMEN1KMT2A
SCHEMBL13250973 0.78 NPC1 (0.49) NOD2NPC1RAB9AMEN1KMT2A
SCHEMBL29227269 0.77 IDO1 (0.38) BACE1HDAC4HDAC2HDAC8ACLY
SCHEMBL13251058 0.75 ACACA (0.44) GAAPOLBGRK6BLMGFER

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023103611-A1 BROMOPYRENE INTERMEDIATE AND DERIVATIVES THEREOF, PREPARATION METHOD, AND USE 广东工业大学 2023-06-15 — — WO disclosed
WO-2023103611-A1 BROMOPYRENE INTERMEDIATE AND DERIVATIVES THEREOF, PREPARATION METHOD, AND USE 广东工业大学 2023-06-15 — — WO disclosed
CN-114149307-B Bromopyrene intermediate and derivative, preparation method and application thereof 广东工业大学 2023-04-11 — — CN disclosed
CN-114149307-A Bromopyrene intermediate and derivative, preparation method and application thereof 广东工业大学 2022-03-08 — — CN disclosed
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