SCHEMBL6188601

SCHEMBL6188601

CC(C)(C)OC(=O)NCc1cccc(C(O)c2ccc(Cl)cc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.42
CTSL P07711 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.38
BRD4 O60885 2/20 0.38
HDAC1 Q13547 1/20 0.38
CREBBP Q92793 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
APEX1 P27695 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
SCHEMBL6188694 0.92 CTSL (0.41) GLSCTSLGAAKDM4EBRD4
SCHEMBL27534838 0.90 GAA (0.40) GLSCTSLGAAKDM4EALDH1A1
SCHEMBL6190141 0.89 GAA (0.48) GAAHDAC1
SCHEMBL6186592 0.87 GLS (0.45) GLSKDM4EBRD4HDAC1CREBBP
SCHEMBL6189547 0.82 MRGPRX4 (0.41) GLSCTSLGAAHDAC1LMNA
SCHEMBL6185337 0.82 KDM4E (0.45) CTSLKDM4EALDH1A1LMNA
SCHEMBL28745235 0.82 GAA (0.40) GLSCTSLGAAKDM4EALDH1A1
SCHEMBL6190137 0.81 KCNA5 (0.44) CTSLGAAKDM4EHDAC1ALDH1A1
SCHEMBL6188704 0.81 ALDH1A1 (0.44) GLSKDM4EHDAC1ALDH1A1LMNA
SCHEMBL6188238 0.81 HDAC1 (0.47) CTSLGAAHDAC1

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