SCHEMBL6189480

SCHEMBL6189480

CC(C)(C)OC(=O)NCCc1cccc(C(O)c2cc(Cl)ccc2Cc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HIF1A Q16665 1/20 0.40
CTSL P07711 1/20 0.40
IDO1 P14902 2/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSK P43235 3/20 0.38
CTSS P25774 2/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
CTSB P07858 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
SCHEMBL6190284 0.87 IDO1 (0.41) KDM4ECTSLIDO1HPGDALDH1A1
SCHEMBL6185337 0.82 KDM4E (0.45) KDM4ECTSLIDO1HPGDALDH1A1
SCHEMBL6187288 0.79 PTGER1 (0.45) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL6186419 0.79 HDAC1 (0.43) KDM4EHPGDALDH1A1HTTTP53
SCHEMBL6187559 0.78 MEN1 (0.42) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6188238 0.77 HDAC1 (0.47) CTSLHTTMEN1KMT2ACTSK
SCHEMBL8206799 0.77 KDM4E (0.42) KDM4ECTSLIDO1HPGDALDH1A1
SCHEMBL6187911 0.74 MAPT (0.42) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL25834083 0.74 KDM4E (0.63) KDM4ECTSLHPGDALDH1A1HTT
SCHEMBL18800977 0.74 NAMPT (0.58) IDO1MAPTCTSKCTSSCNR1

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