SCHEMBL11359504

SCHEMBL11359504

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
HSD17B10 Q99714 5/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 2/20 0.50
USP2 O75604 1/20 0.50
ESR1 P03372 1/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
PTPN7 P35236 1/20 0.50
RECQL P46063 1/20 0.50
ESR2 Q92731 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11363855 0.93 KDM4E (0.67) KDM4EHSD17B10TSHRTDP1USP2
SCHEMBL11364062 0.91 KDM4E (0.62) KDM4EHSD17B10TSHRTDP1USP2
SCHEMBL11356644 0.90 KDM4E (0.61) KDM4EHSD17B10TSHRTDP1USP2
SCHEMBL10730116 0.79 KDM4E (1.00) KDM4EHSD17B10TSHRTDP1USP2
SCHEMBL11021033 0.79 HSD17B10 (0.79) KDM4EHSD17B10TSHRTDP1USP2
SCHEMBL10897219 0.79 HSD17B10 (0.79) KDM4EHSD17B10TSHRTDP1USP2
SCHEMBL11021035 0.79 HSD17B10 (0.79) KDM4EHSD17B10TSHRTDP1USP2
SCHEMBL11351992 0.78 HSD17B10 (0.54) KDM4EHSD17B10TSHRTDP1USP2
SCHEMBL11355440 0.73 MAPT (0.46) KDM4EHSD17B10TSHRTDP1USP2
SCHEMBL4335577 0.72 HSD17B10 (1.00) KDM4EHSD17B10TSHRPOLBHPGD

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