SCHEMBL6192307

SCHEMBL6192307

CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(OCCCc3ccccc3)ccc2Cc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38
FFAR1 O14842 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
BCL2 P10415 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLS O94925 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB10 P40306 1/20 0.37
PSMB2 P49721 1/20 0.37

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
SCHEMBL6192204 0.90 HDAC1 (0.43) HDAC1MEN1KMT2APSMB1PSMB8
SCHEMBL6190723 0.84 HDAC1 (0.41) HDAC1MTNR1AMTNR1BGLS
SCHEMBL6187559 0.83 MEN1 (0.42) HDAC1BCHEMEN1KMT2A
SCHEMBL6192565 0.79 BCL2 (0.46) HDAC1BCHEBCL2MEN1KMT2A
SCHEMBL6187288 0.79 PTGER1 (0.45) MEN1KMT2A
SCHEMBL6189993 0.78 HDAC1 (0.46) HDAC1MEN1KMT2APSMB1PSMB8
SCHEMBL6187627 0.78 TDP1 (0.39) FFAR1MTNR1AMTNR1B
SCHEMBL6192258 0.78 HDAC1 (0.44) HDAC1BCHEBCL2MEN1KMT2A
SCHEMBL596575 0.74 HDAC1 (0.67) HDAC1BCHEMEN1KMT2A
SCHEMBL6187911 0.73 MAPT (0.42) MEN1KMT2A

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