SCHEMBL30165992

SCHEMBL30165992

COc1ccc(-c2cc3c4c(cccc4c2)C(=O)C(O)=C3)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ERN1 O75460 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 1/20 0.41
PTGES O14684 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.39
ATM Q13315 1/20 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
SCHEMBL28929049 1.00 L3MBTL1 (0.44) L3MBTL1ERN1ADORA3ADORA2APTGES
SCHEMBL28929013 0.90 L3MBTL1 (0.41) L3MBTL1ERN1ADORA3ADORA2APTGES
SCHEMBL30166017 0.90 L3MBTL1 (0.41) L3MBTL1ERN1ADORA3ADORA2APTGES
SCHEMBL28929057 0.89 ALOX5 (0.49) ERN1ADORA3ADORA2APTGESMAPT
SCHEMBL30166006 0.86 L3MBTL1 (0.45) L3MBTL1ERN1ADORA3ADORA2AABCG2
SCHEMBL28929060 0.86 L3MBTL1 (0.45) L3MBTL1ERN1ADORA3ADORA2AABCG2
SCHEMBL28928994 0.85 NTRK1 (0.46) ADORA3MAPTTSHRMEN1MAPK1
SCHEMBL30166029 0.81 CYP3A4 (0.48) L3MBTL1ERN1ADORA3MAPTKDM4E
SCHEMBL28929267 0.81 CYP3A4 (0.48) L3MBTL1ERN1ADORA3MAPTKDM4E
SCHEMBL28929042 0.80 L3MBTL1 (0.46) L3MBTL1ERN1ADORA3ADORA2AABCG2

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