SCHEMBL7096764

SCHEMBL7096764

CC(C)(C)OC(=O)NCCSc1cc(C(=O)O)nc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.44
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.39
BCHE P06276 1/20 0.39
NQO2 P16083 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38

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
SCHEMBL7083164 0.94 IDO1 (0.40) IDO1GAAMEN1KMT2ATDP1
SCHEMBL7083158 0.88 IDO1 (0.43) IDO1GAAMEN1KMT2ATDP1
SCHEMBL7078640 0.80 MTNR1A (0.59) IDO1GAAKMT2AALDH1A1HPGD
SCHEMBL7528860 0.79 MTNR1A (0.62) IDO1GAAMEN1KMT2AALDH1A1
SCHEMBL1742579 0.79 CA12 (0.54) GAAMEN1KMT2ATDP1STK17B
SCHEMBL3716262 0.78 IDO1 (0.47) IDO1GAAMEN1KMT2AALDH1A1
SCHEMBL10493769 0.77 IDO1 (0.46) IDO1GAATDP1ALDH1A1MAPT
SCHEMBL31490568 0.76 IDO1 (0.48) IDO1GAAMEN1KMT2ATDP1
SCHEMBL25925015 0.75 KMT2A (0.47) GAAMEN1KMT2ATDP1KDM4E
SCHEMBL7894530 0.75 MTNR1A (0.48) IDO1TDP1ALDH1A1HPGDNQO2

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-2003081209-A2 IDENTIFICATION OF LIGANDS FOR A RECEPTOR FAMILY AND RELATED METHODS TRIAD THERAPEUTICS, INC. (US) 2003-10-02 WO disclosed