SCHEMBL11356644

SCHEMBL11356644

CCOC(=O)C1C(=O)Nc2ccccc2SC1c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 9/20 0.56
HSD17B10 Q99714 4/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
HPGD P15428 4/20 0.47
POLB P06746 2/20 0.47
THRB P10828 2/20 0.47
USP2 O75604 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47
ESR2 Q92731 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.46
SLC2A1 P11166 1/20 0.46
MAPT P10636 3/20 0.44

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
SCHEMBL11359504 0.90 KDM4E (0.65) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL11363855 0.90 KDM4E (0.67) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL11364062 0.88 KDM4E (0.62) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL10809677 0.80 MEN1 (0.50) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL7327312 0.80 HSD17B10 (0.73) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL30520180 0.80 HSD17B10 (0.73) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL6479457 0.80 HSD17B10 (0.73) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL7348790 0.80 HSD17B10 (0.73) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL5020108 0.80 HSD17B10 (0.73) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL6479462 0.80 HSD17B10 (0.73) KDM4EALDH1A1HSD17B10TSHRMEN1

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
US-4264497-A ANTICHOLINERGIC, ANTISPASMODIC, ANTIULCER AND ANTISECRETORY AGENTS MARUKO SEIYAKU CO., LTD. (JP) 1981-04-28 US disclosed