SCHEMBL6187593

SCHEMBL6187593

CC(C)COc1ccc(N)c(C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
BRD4 O60885 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
GLS O94925 2/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
NR1H4 Q96RI1 2/20 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
SCHEMBL6191926 0.85 HDAC1 (0.44) HDAC1ALDH1A1BRD4SIRT2KDM4E
SCHEMBL20946412 0.83 MAPT (0.47) MAPTALDH1A1HTTBRD4MEN1
SCHEMBL6191077 0.82 KDM4E (0.50) HDAC1MAPTALDH1A1BRD4KDM4E
SCHEMBL6190237 0.82 GAA (0.43) HDAC1ALDH1A1BRD4KDM4EUSP2
SCHEMBL6188833 0.81 HDAC1 (0.41) HDAC1MAPTALDH1A1HTTBRD4
SCHEMBL31432063 0.77 HDAC1 (0.44) HDAC1MAPT
SCHEMBL18398430 0.76 MAPT (0.56) HDAC1MAPTMEN1ALOX12KMT2A
SCHEMBL13715437 0.74 GLS (0.47) HDAC1BRD4KMT2AGLSNR1H4
SCHEMBL19553568 0.73 KCNA5 (0.45) BRD4GLSNR1H4
SCHEMBL184425 0.73 NR1H4 (0.61) HDAC1BRD4KMT2AGLSNR1H4

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 2 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