SCHEMBL7244398

SCHEMBL7244398

O=Cc1ccccc1COc1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
HPGD P15428 2/20 0.68
SRD5A2 P31213 2/20 0.68
HSD17B10 Q99714 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C9 P11712 2/20 0.68
ALDH1A1 P00352 1/20 0.68
KMT2A Q03164 3/20 0.56
PDGFRB P09619 6/20 0.55
PDGFRA P16234 6/20 0.55
CFD P00746 1/20 0.50
FLT3 P36888 2/20 0.49
SMAD3 P84022 1/20 0.47
MAPT P10636 1/20 0.46
DAO P14920 1/20 0.46
PLA2G4A P47712 1/20 0.45
MEN1 O00255 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL7239881 0.91 SRD5A2 (0.63) KDM4EHPGDSRD5A2HSD17B10CYP1A2
SCHEMBL7246467 0.84 KDM4E (0.73) KDM4EHPGDSRD5A2HSD17B10CYP1A2
SCHEMBL7246655 0.83 KDM4E (0.71) KDM4EHPGDSRD5A2HSD17B10CYP1A2
SCHEMBL630515 0.81 SRD5A2 (1.00) KDM4EHPGDSRD5A2HSD17B10CYP1A2
SCHEMBL9816433 0.77 KDM4E (0.73) KDM4EHPGDSRD5A2HSD17B10CYP1A2
SCHEMBL28718294 0.77 CYP2A6 (0.44) PDGFRBPDGFRAMAPTHDAC1
SCHEMBL4311301 0.76 KDM4E (0.71) KDM4EHPGDSRD5A2HSD17B10CYP1A2
SCHEMBL7241630 0.76 KDM4E (0.59) KDM4EHPGDSRD5A2HSD17B10CYP1A2
SCHEMBL13345030 0.75 KDM4E (0.62) KDM4EHPGDSRD5A2HSD17B10CYP1A2
SCHEMBL6542663 0.75 KDM4E (0.69) KDM4EHPGDSRD5A2HSD17B10CYP1A2

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-6630496-B1 Antiinflammatory agents inhibit phospholipase 2, affecting both protaglandin and leukotriene production; indoles substituted in 2 position by 2,4-dioxo-thiazol-3-yl methylidene GENETICS INSTITUTE LLC 2003-10-07 US disclosed