SCHEMBL6188626

SCHEMBL6188626

CC(C)(C)OC(=O)NC(C)(C)c1cccc(C(O)c2cc(Cl)ccc2NCc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARA Q07869 1/20 0.41
HDAC1 Q13547 1/20 0.39
GID4 Q8IVV7 1/20 0.39
BCL2 P10415 4/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCL1 Q07820 1/20 0.38
PKM P14618 1/20 0.38
CYP2C9 P11712 1/20 0.38
PTGER1 P34995 1/20 0.38
GPR34 Q9UPC5 3/20 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
SCHEMBL6192138 0.90 ALDH1A1 (0.42) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL6188632 0.86 BCHE (0.42) POLBMEN1MAPK1KMT2ANPSR1
SCHEMBL6191515 0.84 PPARA (0.45) POLBMEN1MAPK1KMT2ANPSR1
SCHEMBL6187402 0.84 MAPT (0.40) POLBMEN1KMT2APPARAALDH1A1
SCHEMBL6192258 0.82 HDAC1 (0.44) POLBMEN1MAPK1KMT2ANPSR1
SCHEMBL6190392 0.82 MEN1 (0.43) POLBMEN1KMT2APPARAHDAC1
SCHEMBL6192565 0.81 BCL2 (0.46) POLBMEN1MAPK1KMT2ANPSR1
SCHEMBL6189547 0.81 MRGPRX4 (0.41) NPSR1HDAC1HTTCYP2C9
SCHEMBL6189178 0.79 PTGER1 (0.43) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL6189993 0.78 HDAC1 (0.46) POLBMEN1KMT2AHDAC1ALOX12

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