SCHEMBL5696067

SCHEMBL5696067

O=c1cc(-c2ccccc2)oc2ccc(-c3cccc4ccccc34)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 5/20 0.71
▸ PLA2G4A P47712 5/20 0.71
▸ PLA2G10 O15496 1/20 0.69
▸ ABCG2 Q9UNQ0 4/20 0.62
▸ CYP1A1 P04798 2/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ PAX8 Q06710 2/20 0.62
▸ FYN P06241 1/20 0.62
▸ MAPK3 P27361 1/20 0.62
▸ AHR P35869 1/20 0.62
▸ TNKS O95271 3/20 0.61
▸ TP53 P04637 3/20 0.61
▸ CYP3A4 P08684 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ ABCB1 P08183 3/20 0.61
▸ GABRP O00591 2/20 0.61
▸ GABRD O14764 2/20 0.61
▸ ADORA3 P0DMS8 2/20 0.61

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
SCHEMBL24227286 0.82 PLA2G2A (0.97) PLA2G2APLA2G4APLA2G10ABCG2TNKS
SCHEMBL8371962 0.81 ABCG2 (0.69) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
SCHEMBL12182010 0.80 CASP3 (0.51) CYP3A4HPGDNPC1RAB9ACA12
Flavone SCHEMBL28142695 0.79 TNKS (0.90) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
SCHEMBL13979514 0.79 MCL1 (0.47) CYP1A2HPGDNPC1RAB9ACA12
SCHEMBL25465791 0.78 MAOB (0.49) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
SCHEMBL530293 0.78 HPGD (0.67) PLA2G2APLA2G4AABCG2CYP1A2MAPK3
SCHEMBL31061270 0.78 HPGD (0.67) PLA2G2APLA2G4AABCG2CYP1A2MAPK3
SCHEMBL23070093 0.78 TNKS (0.93) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
Flavone SCHEMBL15676601 0.77 TNKS (1.00) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870045-B1 GENE CONTROL UNIV DUNDEE (GB) 2006-07-12 — — EP disclosed
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