SCHEMBL6187559

SCHEMBL6187559

CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(Cl)ccc2Cc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGER1 P34995 2/20 0.41
BCHE P06276 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 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
SCHEMBL6187288 0.90 PTGER1 (0.45) MEN1KMT2ACYP2C9NPC1RAB9A
SCHEMBL6192204 0.84 HDAC1 (0.43) MEN1KMT2AHDAC1POLBALOX12
SCHEMBL6192307 0.83 HDAC1 (0.42) MEN1KMT2ABCHEHDAC1
SCHEMBL6192258 0.81 HDAC1 (0.44) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL6189178 0.81 PTGER1 (0.43) MEN1KMT2ACYP2C9NPC1RAB9A
SCHEMBL6192565 0.80 BCL2 (0.46) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL6187911 0.79 MAPT (0.42) MEN1KMT2A
SCHEMBL6189547 0.79 MRGPRX4 (0.41) CYP2C9CYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL6190392 0.79 MEN1 (0.43) MEN1KMT2ACYP2C9NPC1RAB9A
SCHEMBL6188694 0.79 CTSL (0.41) HDAC1ALDH1A1POLB

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