SCHEMBL1407296

SCHEMBL1407296

COC(=O)c1c(C(=O)OC)n(-c2ccc(OC(C)C)cc2)c2ccc(Oc3cccc(N)n3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
HTT P42858 4/20 0.40
MAPK1 P28482 3/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 4/20 0.38
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 2/20 0.35
PPARG P37231 2/20 0.35

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
SCHEMBL1407297 0.95 KDM4E (0.40) MAPTHTTMAPK1HPGDPKM
SCHEMBL333969 0.85 MAPT (0.40) MAPTHTTMAPK1HPGDPKM
SCHEMBL333957 0.82 MAPT (0.42) MAPTHTTMAPK1HPGDPKM
SCHEMBL334112 0.80 MAPT (0.61) MAPTHTTMAPK1HPGDPKM
SCHEMBL333970 0.80 MEN1 (0.39) MAPTHTTMAPK1HPGDPKM
SCHEMBL368313 0.80 MAPT (0.39) MAPTHTTMAPK1HPGDPKM
SCHEMBL335008 0.79 PTGES (0.49) MAPTHTTMAPK1HPGDPKM
SCHEMBL333448 0.79 ROCK2 (0.43) MAPTHTTMAPK1HPGDPKM
SCHEMBL333599 0.79 LMNA (0.50) MAPTHTTPPARGPPARA
SCHEMBL333737 0.79 PPARG (0.45) MAPTHTTMAPK1HPGDPKM

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