SCHEMBL6595349

SCHEMBL6595349

O=C(O)c1cc(OCc2ccccc2)c2cc(C#CCOCc3ccccc3)cc(OCc3ccccc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP12 P39900 2/20 0.43
MCL1 Q07820 4/20 0.41
XDH P47989 1/20 0.38
PTGER1 P34995 3/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL6596772 0.92 MMP2 (0.42) MMP2MMP12MCL1XDHPTGER1
SCHEMBL6080047 0.91 MMP2 (0.41) MMP2MMP12MCL1XDHALDH1A1
SCHEMBL6079883 0.90 MMP2 (0.41) MMP2MMP12ALDH1A1SMN1; SMN2
SCHEMBL6614590 0.88 CTSV (0.39) MMP2MMP12MCL1
SCHEMBL6079888 0.83 MMP2 (0.40) MMP2MMP12XDHPTGER1ALDH1A1
SCHEMBL6080053 0.82 MMP2 (0.39) MMP2MMP12MCL1PTGER1ALDH1A1
SCHEMBL6598552 0.82 XDH (0.42) MMP2MMP12MCL1XDHPTGER1
SCHEMBL6591840 0.81 MRGPRX4 (0.43) MMP2MMP12MCL1XDHPTGER1
SCHEMBL6080108 0.79 APP (0.41) MMP2MMP12ALDH1A1SMN1; SMN2
SCHEMBL6079838 0.78 MMP2 (0.31) MMP2MMP12

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed