SCHEMBL9113644

SCHEMBL9113644

[CH2]C=CCC(=O)NCCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
CNR1 P21554 2/20 0.42
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.36
CASP2 P42575 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL9113638 1.00 MCL1 (0.44) MCL1CNR1MMP1MMP2MMP3
SCHEMBL7800062 0.83
SCHEMBL7800064 0.83
SCHEMBL10389936 0.81 CNR1 (0.47) MCL1CNR1MMP1MMP2MMP3
SCHEMBL10389934 0.81 CNR1 (0.47) MCL1CNR1MMP1MMP2MMP3
SCHEMBL11528071 0.78
SCHEMBL1517769 0.76
SCHEMBL14123857 0.76
SCHEMBL6340506 0.73
SCHEMBL12757510 0.72 MCL1 (0.38) MCL1CNR1MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed