SCHEMBL6188833

SCHEMBL6188833

CC(C)COc1ccc(N)c(C(O)c2cccc(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
GPR88 Q9GZN0 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
GLS O94925 2/20 0.37
BRD4 O60885 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6188704 0.89 ALDH1A1 (0.44) HDAC1GLSALDH1A1HTTGFER
SCHEMBL6190723 0.86 HDAC1 (0.41) HDAC1GLS
SCHEMBL6188694 0.84 CTSL (0.41) HDAC1GLSBRD4ALDH1A1
SCHEMBL6186592 0.83 GLS (0.45) HDAC1GLSBRD4ALDH1A1HSD17B10
SCHEMBL6192204 0.82 HDAC1 (0.43) HDAC1MAPTMEN1ALOX12KMT2A
SCHEMBL20946412 0.82 MAPT (0.47) MAPTMEN1ALOX12KMT2AGLS
SCHEMBL6189993 0.82 HDAC1 (0.46) HDAC1MAPTMEN1ALOX12KMT2A
SCHEMBL6187593 0.81 HDAC1 (0.44) HDAC1MAPTMEN1ALOX12KMT2A
SCHEMBL6190273 0.80 S1PR3 (0.38) HDAC1GLSBRD4BACE1
SCHEMBL6188601 0.78 GLS (0.42) HDAC1GLSBRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979227-B1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA PHARMACEUTICAL (JP) 2005-11-16 EP disclosed
US-6352982-B1 TREATING DIABETES, OBESITY, OR INVETERATE DIARRHEA IN A MAMMAL WHICH COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-05 US disclosed
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed