SCHEMBL8560758

SCHEMBL8560758

COc1cccc(CC(=O)OCc2cc(Cl)ccc2NC(C)=O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 2/20 0.44
LPAR1 Q92633 2/20 0.42
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FPR1 P21462 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL8564979 0.89 GAA (0.45) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL8561517 0.82 MAPT (0.49) GAAKDM4EKMT2ALMNALPAR1
SCHEMBL8564179 0.82 KDM4E (0.48) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL8559179 0.79 ALDH1A1 (0.43) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL1646158 0.75 KDM4E (0.56) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL8979487 0.73 FPR1 (0.48) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL28769967 0.73 KMT2A (0.50) KDM4EKMT2AMEN1LMNAPKM
SCHEMBL27336582 0.72 KMT2A (0.52) KDM4EKMT2AMEN1PKMALDH1A1
SCHEMBL6366424 0.71 LMNA (0.54) KDM4EKMT2AMEN1LMNAPKM
SCHEMBL8567550 0.71 KDM4E (0.46) GAAKDM4EKMT2AMEN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770438-A CHEMICAL INTERMEDIATES FOR ANTICHOLESTEROL COMPOUNDS, CYCLIZATION TO FORM BENZOXAZEPINE OR BENZOTHIAZEPINE COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
EP-0710725-A1 Production of optically active compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed