SCHEMBL25225360

SCHEMBL25225360

COc1ccc(-c2cc(-c3ccc(OC)cc3)c3ccc4c(-c5ccc(OC)cc5)c(OCc5ccccc5)c(-c5ccc(OC)cc5)c5ccc2c3c54)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 4/20 0.49
▸ GAA P10253 4/20 0.49
▸ SI P14410 4/20 0.49
▸ MGAM2 Q2M2H8 4/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ GSTP1 P09211 1/20 0.45
▸ CYP19A1 P11511 2/20 0.44
▸ MAOB P27338 2/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ C5AR1 P21730 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ BCHE P06276 2/20 0.41

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
SCHEMBL25270762 0.92 ALDH1A1 (0.51) MGAMGAASIMGAM2NPSR1
SCHEMBL25223726 0.83 CNR1 (0.40) ALDH1A1LMNAHTTMAPTNOD2
SCHEMBL25271592 0.81 ABL1 (0.42) GAAALDH1A1MAPTNOD2BACE1
SCHEMBL13251065 0.79 ACACA (0.59) NPSR1ALDH1A1LMNAHTTMAPT
SCHEMBL28691479 0.78 CYP19A1 (0.43) MGAMGAASIMGAM2NPSR1
SCHEMBL13251023 0.76 ABL1 (0.52) GAAALDH1A1MAPK1NOD2MAOB
SCHEMBL13251008 0.74 ACACA (0.54) ALDH1A1HTTMAPTMAPK1BACE1
SCHEMBL13251118 0.74 ACACA (0.54) ALDH1A1HTTMAPTMAPK1BACE1
SCHEMBL25271741 0.74 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL25224619 0.73 KDM4E (0.43) GAANPSR1ALDH1A1MAPTMEN1

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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