SCHEMBL8564979

SCHEMBL8564979

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 7/20 0.42
MEN1 O00255 5/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 2/20 0.41
LPAR1 Q92633 2/20 0.40
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FPR1 P21462 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 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
SCHEMBL8560758 0.89 GAA (0.47) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL8979487 0.86 FPR1 (0.48) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL8567550 0.83 KDM4E (0.46) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL8566126 0.80 KMT2A (0.41) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL5520431 0.76 MEN1 (0.49) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL8979485 0.75 NFE2L2 (0.43) KDM4EKMT2AMEN1LMNALPAR1
SCHEMBL4123840 0.72 KMT2A (0.47) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL8560596 0.72 LPAR1 (0.47) KDM4EKMT2AMEN1LMNALPAR1
SCHEMBL8566775 0.72 LPAR1 (0.47) KDM4EKMT2AMEN1LMNALPAR1
SCHEMBL8567301 0.72 LPAR1 (0.47) KDM4EKMT2AMEN1LMNALPAR1

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