SCHEMBL30166023

SCHEMBL30166023

COC1=Cc2c(-c3ccc(OC)c(OC)c3)ccc3cccc(c23)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 1/20 0.47
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
ABCG2 Q9UNQ0 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 3/20 0.39
ATM Q13315 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
RAB9A P51151 3/20 0.39

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
SCHEMBL28929257 1.00 L3MBTL1 (0.48) L3MBTL1ADORA3ADORA2APTPRCPTPN1
SCHEMBL28928973 0.88 L3MBTL1 (0.46) L3MBTL1ADORA3ADORA2APTPRCPTPN1
SCHEMBL30165996 0.88 L3MBTL1 (0.46) L3MBTL1ADORA3ADORA2APTPRCPTPN1
SCHEMBL28929039 0.88 ADORA3 (0.47) ADORA3ADORA2ABRD4ALDH1A1KDM4E
SCHEMBL28929017 0.83 KDM4E (0.45) L3MBTL1ADORA3PTPN1ALDH1A1KDM4E
SCHEMBL28928995 0.83 CDC25A (0.47) PTPN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30166001 0.81 ADORA3 (0.48) L3MBTL1ADORA3ADORA2APTPRCPTPN1
SCHEMBL28929009 0.81 ADORA3 (0.48) L3MBTL1ADORA3ADORA2APTPRCPTPN1
SCHEMBL28929060 0.80 L3MBTL1 (0.45) L3MBTL1ADORA3ADORA2AABCG2ALDH1A1
SCHEMBL30166006 0.80 L3MBTL1 (0.45) L3MBTL1ADORA3ADORA2AABCG2ALDH1A1

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