SCHEMBL27699005

SCHEMBL27699005

COc1ccc(-n2c(C)c(C(=O)O)c3cc(O)ccc32)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.81
HTT P42858 5/20 0.81
HPGD P15428 4/20 0.81
PKM P14618 2/20 0.81
ALOX15 P16050 2/20 0.81
HSD17B10 Q99714 2/20 0.81
MAPK1 P28482 2/20 0.81
SMN1; SMN2 Q16637 2/20 0.81
NPSR1 Q6W5P4 2/20 0.81
TSHR P16473 1/20 0.81
HIF1A Q16665 1/20 0.81
GAA P10253 2/20 0.74
GFER P55789 1/20 0.74
KDM4E B2RXH2 5/20 0.73
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.69
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65

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
SCHEMBL980968 0.85 MAPT (0.82) MAPTHTTHPGDPKMALOX15
SCHEMBL3388184 0.85 GAA (1.00) MAPTHTTHPGDPKMALOX15
SCHEMBL3388187 0.84 KDM4E (1.00) MAPTHTTHPGDPKMALOX15
SCHEMBL12334438 0.82 HTT (0.70) MAPTHTTHPGDPKMALOX15
SCHEMBL3821064 0.81 KMT2A (1.00) MAPTHTTHPGDPKMALOX15
SCHEMBL29059277 0.81 KDM4E (0.76) MAPTHTTHPGDPKMALOX15
SCHEMBL1407609 0.81 MAPT (0.58) MAPTHTTHPGDPKMALOX15
SCHEMBL13051739 0.80 HTT (0.66) MAPTHTTHPGDPKMALOX15
SCHEMBL1717541 0.76 MAPT (0.65) MAPTHTTHPGDPKMALOX15
SCHEMBL12873725 0.76 GAA (0.68) MAPTHTTHPGDPKMALOX15

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
CN-101027051-A Methods for treating hepatitis C PTC THERAPEUTICS INC (US) 2007-08-29 CN disclosed