SCHEMBL4634023

SCHEMBL4634023

CCOC(=O)Oc1sc2ccccc2c1OC(C)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
NOD2 Q9HC29 1/20 0.44
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 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
SCHEMBL1382896 0.82 ALDH1A1 (0.69) KMT2AALDH1A1LMNANOD2KDM4E
SCHEMBL4632948 0.80 KMT2A (0.56) KMT2AALDH1A1LMNANOD2MEN1
SCHEMBL4632910 0.77 KMT2A (0.52) KMT2AALDH1A1LMNANOD2MAPT
SCHEMBL4632959 0.76 EDNRA (0.47) KMT2AALDH1A1LMNANOD2KDM4E
SCHEMBL4635043 0.76 CXCR2 (0.55) KMT2AALDH1A1LMNANOD2MEN1
SCHEMBL4633576 0.75 KMT2A (0.50) KMT2AALDH1A1LMNANOD2MEN1
SCHEMBL4633540 0.75 CXCR2 (0.51) KMT2AALDH1A1LMNANOD2MEN1
SCHEMBL4604930 0.75 MAOB (0.47) KMT2AALDH1A1LMNANOD2KDM4E
SCHEMBL4632960 0.75 LMNA (0.47) KMT2AALDH1A1LMNANOD2MEN1
SCHEMBL4634993 0.74 KMT2A (0.46) KMT2AALDH1A1LMNANOD2KDM4E

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-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP claimed