SCHEMBL21634007

SCHEMBL21634007

CC(C)=CCc1ccc2oc(-c3ccccc3)cc(=O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.58
PLA2G4A P47712 3/20 0.58
MAPT P10636 4/20 0.58
TP53 P04637 3/20 0.58
HPGD P15428 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 3/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CALM1 P0DP23 1/20 0.58
PKM P14618 1/20 0.58
FTO Q9C0B1 1/20 0.58
ABCG2 Q9UNQ0 3/20 0.57
PTPN1 P18031 1/20 0.55
TNKS O95271 3/20 0.54
ADORA3 P0DMS8 2/20 0.54
GABRP O00591 2/20 0.54
GABRD O14764 2/20 0.54

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
SCHEMBL22166376 0.81 PLA2G2A (0.68) PLA2G2APLA2G4AMAPTTP53HPGD
SCHEMBL15931417 0.81 PLA2G2A (0.68) PLA2G2APLA2G4AMAPTTP53HPGD
SCHEMBL11638800 0.79 PLA2G2A (0.64) PLA2G2APLA2G4AMAPTTP53HPGD
SCHEMBL27488775 0.79 PLA2G2A (0.68) PLA2G2APLA2G4AMAPTTP53HPGD
SCHEMBL20074668 0.78 PLA2G2A (0.62) PLA2G2APLA2G4AMAPTTP53HPGD
SCHEMBL11635046 0.77 FFAR1 (0.70) PLA2G2APLA2G4AMAPTTP53HPGD
SCHEMBL7141873 0.75 CYP3A4 (0.61) MAPTTP53HPGDNPC1RAB9A
SCHEMBL24227267 0.75 PLA2G2A (0.66) PLA2G2APLA2G4AMAPTTP53HPGD
SCHEMBL31238271 0.74 ALDH1A1 (0.49) MAPTTP53HPGDNPC1RAB9A
SCHEMBL28164923 0.74 ALDH1A1 (0.49) MAPTTP53HPGDNPC1RAB9A

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
WO-2020019066-A1 BIOSYNTHESIS OF CANNFLAVIN A AND B UNIVERSITY OF GUELPH (CA) 2020-01-30 WO disclosed