SCHEMBL28928958

SCHEMBL28928958

COc1cc(-c2ccc3cccc4c3c2C=C(O)C4=O)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 1/20 0.46
ALOX5 P09917 2/20 0.45
MAPT P10636 3/20 0.42
BRD4 O60885 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
PDGFRB P09619 2/20 0.39
NPC1 O15118 1/20 0.39
RXRA P19793 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL30165996 0.88 L3MBTL1 (0.46) ADORA3ADORA2AMAPTBRD4MEN1
SCHEMBL28928973 0.88 L3MBTL1 (0.46) ADORA3ADORA2AMAPTBRD4MEN1
SCHEMBL28929039 0.88 ADORA3 (0.47) ADORA3ADORA2AALOX5MAPTBRD4
SCHEMBL28929065 0.81 HDAC4 (0.46) ADORA3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28928960 0.81 CYP3A4 (0.43) ADORA3MAPTMEN1KMT2AALDH1A1
SCHEMBL30166014 0.81 CYP3A4 (0.43) ADORA3MAPTMEN1KMT2AALDH1A1
SCHEMBL28929057 0.81 ALOX5 (0.49) ADORA3ADORA2AALOX5MAPTMEN1
SCHEMBL28929245 0.80 ALOX5 (0.46) ADORA3ADORA2AALOX5MAPTMEN1
SCHEMBL30166034 0.79 ADORA3 (0.48) ADORA3ADORA2AALOX5MAPTBRD4
SCHEMBL31352287 0.78 ALDH1A1 (0.43) ADORA3ADORA2AMAPTMEN1KMT2A

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