SCHEMBL1407609

SCHEMBL1407609

CCOC(=O)Cc1c(C(=O)O)c2cc(O)ccc2n1-c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
HTT P42858 3/20 0.58
HPGD P15428 3/20 0.58
MAPK1 P28482 2/20 0.58
TSHR P16473 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
PKM P14618 2/20 0.58
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HIF1A Q16665 1/20 0.58
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
KDM4E B2RXH2 5/20 0.54
ALOX5 P09917 1/20 0.49
GAA P10253 2/20 0.49
GFER P55789 1/20 0.49
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL333699 0.92 MAPT (0.61) MAPTHTTHPGDMAPK1TSHR
SCHEMBL3008659 0.89 KMT2A (0.50) MAPTHTTHPGDMAPK1TSHR
SCHEMBL5507001 0.88 PTGES (0.54) MAPTHTTHPGDMAPK1TSHR
SCHEMBL333454 0.82 MEN1 (0.74) MAPTHTTHPGDMAPK1TSHR
SCHEMBL333866 0.82 MEN1 (0.59) MAPTHTTHPGDMAPK1TSHR
SCHEMBL27699005 0.81 MAPT (0.81) MAPTHTTHPGDMAPK1TSHR
SCHEMBL333757 0.81 KMT2A (0.56) MAPTHTTHPGDMAPK1TSHR
SCHEMBL334361 0.81 ALOX5 (0.61) MAPTHTTHPGDMAPK1TSHR
SCHEMBL334043 0.80 PTGES (0.61) MAPTHTTHPGDMAPK1TSHR
SCHEMBL980968 0.79 MAPT (0.82) MAPTHTTHPGDMAPK1TSHR

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-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed