SCHEMBL7514786

SCHEMBL7514786

O=C(O)CCNC(=O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.73
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CPB1 P15086 1/20 0.56
FOLH1 Q04609 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TGM2 P21980 1/20 0.53
GAA P10253 1/20 0.53
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL127662 0.94 HTT (0.82) HTTLMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7400993 0.92 HTT (0.79) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5058688 0.90 HTT (0.77) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4173649 0.90 HTT (0.62) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7511539 0.90 HTT (0.67) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7510972 0.90 HTT (0.67) HTTLMNASMN1; SMN2MEN1KMT2A
Glycolic Acid SCHEMBL148706 0.89 HTT (0.75) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7820797 0.88 HTT (0.89) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10950730 0.88 HTT (0.61) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL13192100 0.88 HTT (0.65) HTTLMNASMN1; SMN2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019182483-A1 PEPTIDE SUBSTRATES FOR PAPAIN FAMILY CYSTEINE PEPTIDASES Федеральное государственное бюджетное образовательное учреждение высшего образования "Московский государственный университет имени М.В. Ломоносова" 2019-09-26 WO disclosed
EP-0786462-B1 DC107 derivatives KYOWA HAKKO KOGYO KK (JP) 2002-09-18 EP disclosed
US-5733924-A BACTERICIDES AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-31 US disclosed
CN-1163616-A DC107 derivatives KYOWA HAKKO KOGYO KK (JP) 1997-10-29 CN disclosed
EP-0786462-A1 DC107 DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-30 EP disclosed