SCHEMBL28928992

SCHEMBL28928992

COC1=Cc2cc(-c3cc(OC)c(OC)c(OC)c3)cc3cccc(c23)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX5 P09917 2/20 0.44
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 1/20 0.43
MAPT P10636 2/20 0.42
MAOA P21397 1/20 0.41
PDGFRB P09619 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
IDO1 P14902 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
PTGES O14684 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL28962245 0.90 MAOA (0.46) NPC1SMN1; SMN2ALOX5ADORA3ADORA2A
SCHEMBL28929060 0.89 L3MBTL1 (0.45) NPC1SMN1; SMN2ADORA3ADORA2AMAPT
SCHEMBL30166006 0.89 L3MBTL1 (0.45) NPC1SMN1; SMN2ADORA3ADORA2AMAPT
SCHEMBL28929057 0.86 ALOX5 (0.49) NPC1SMN1; SMN2ALOX5ADORA3ADORA2A
SCHEMBL28928975 0.85 CDC25A (0.46) NPC1SMN1; SMN2ALOX5MAPTMAOA
SCHEMBL28929477 0.83 GAPDH (0.45) NPC1SMN1; SMN2ADORA3MAPTMAOA
SCHEMBL28929016 0.81 CYP1A2 (0.49) NPC1SMN1; SMN2ADORA3MAPTMAOA
SCHEMBL30165985 0.81 CYP1A2 (0.49) NPC1SMN1; SMN2ADORA3MAPTMAOA
SCHEMBL28929039 0.81 ADORA3 (0.47) NPC1SMN1; SMN2ALOX5ADORA3ADORA2A
SCHEMBL28962247 0.81 NPC1 (0.46) NPC1SMN1; SMN2ALOX5ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583876-B Phenyl naphthacene ketone compound and preparation method and application thereof 深圳技术大学 2023-12-19 CN disclosed
CN-115583876-A Phenyl-naphthalenepophenone compounds, preparation method and application thereof 深圳技术大学 2023-01-10 CN disclosed