SCHEMBL6189178

SCHEMBL6189178

CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(Cl)ccc2NCc2ccccc2OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.43
CYP2C9 P11712 1/20 0.43
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6190392 0.91 MEN1 (0.43) PTGER1CYP2C9TP53SMN1; SMN2GAA
SCHEMBL6189547 0.88 MRGPRX4 (0.41) CYP2C9GAAMAPTLMNA
SCHEMBL6192258 0.84 HDAC1 (0.44) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL6188662 0.83 GAA (0.40) TP53GAAPOLBALDH1A1RAB9A
SCHEMBL6192565 0.83 BCL2 (0.46) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL6187288 0.82 PTGER1 (0.45) PTGER1CYP2C9TP53SMN1; SMN2MAPT
SCHEMBL6191680 0.82 GAA (0.41) CYP2C9GAAMAPTKDM4ELMNA
SCHEMBL6190235 0.81 CTSL (0.39) CYP2C9GAAMAPTALDH1A1LMNA
SCHEMBL6187559 0.81 MEN1 (0.42) PTGER1CYP2C9SMN1; SMN2POLBALDH1A1
SCHEMBL6188764 0.80 SMN1; SMN2 (0.41) TP53SMN1; SMN2MAPTTHRBPOLB

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