SCHEMBL3710797

SCHEMBL3710797

COC(=O)c1c(C(=O)OC)n(-c2ccc(O)cc2)c2ccc(Oc3ccc(OC(C)C)cc3)c(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
HSD17B10 Q99714 4/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 3/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 3/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 5/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.33
PTGES O14684 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
SCHEMBL3707097 0.88 MDM2 (0.41) MAPTHSD17B10HTTMAPK1HPGD
SCHEMBL334112 0.79 MAPT (0.61) MAPTHSD17B10HTTMAPK1HPGD
SCHEMBL334113 0.76 MAPT (0.57) MAPTHSD17B10HTTMAPK1HPGD
SCHEMBL333737 0.72 PPARG (0.45) MAPTHSD17B10HTTMAPK1HPGD
SCHEMBL335008 0.71 PTGES (0.49) MAPTHSD17B10HTTMAPK1HPGD
SCHEMBL503725 0.69 MAPT (0.48) MAPTHSD17B10HTTMAPK1HPGD
SCHEMBL503613 0.69 MAPT (0.48) MAPTHSD17B10HTTMAPK1HPGD
SCHEMBL333738 0.69 PPARG (0.48) KDM4EPTGES
SCHEMBL333957 0.68 MAPT (0.42) MAPTHSD17B10HTTMAPK1HPGD
SCHEMBL335009 0.67 PTGES (0.52) PTGES

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-2010076566-A2 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 WO disclosed