SCHEMBL4905650

SCHEMBL4905650

O=C[C@H](Oc1cccc2ccccc12)[C@@H](O)[C@H](O)[C@H](O)C(=O)OBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 3/20 0.36
PGR P06401 1/20 0.36
GAA P10253 1/20 0.36
PTGS1 P23219 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
OGG1 O15527 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
PPARG P37231 2/20 0.33

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
SCHEMBL12500584 0.86 KDM4E (0.42) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4511952 0.75 PPARG (0.36) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL7418048 0.69 PPARG (0.49) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL28154502 0.69 HTR1B (0.43) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL8664311 0.67 HSD17B10 (0.57) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL9577234 0.67 KDM4E (0.43) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL8526433 0.66 PPARG (0.38) CYP1A2CYP2C19HPGDHSD17B10GAA
SCHEMBL7299824 0.66 MAPT (0.45) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL9505528 0.66 KDM4E (0.53) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL27322002 0.66 CYP1A2 (0.49) KDM4EKMT2AMEN1CYP1A2CYP2C19

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
US-20080248518-A1 E.coli and salmonella test kit PATEL CHANDRAVADAN 2008-10-09 US disclosed