SCHEMBL8653202

SCHEMBL8653202

Cc1ncc(C(=O)OC(C)C)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
BAZ2B Q9UIF8 1/20 0.46
KDM4E B2RXH2 5/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38

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
SCHEMBL24283705 0.81 MMP2 (0.46) MMP2MMP1MMP9MMP12KDM4E
SCHEMBL21298714 0.81 KDM4E (0.46) MMP2MMP1MMP9MMP12KDM4E
SCHEMBL21298710 0.81 MMP2 (0.46) MMP2MMP1MMP9MMP12KDM4E
SCHEMBL4251404 0.79 MMP2 (0.50) MMP2BAZ2BKDM4EL3MBTL1HSD17B10
SCHEMBL24284378 0.79 BAZ2B (0.46) MMP2MMP1MMP9MMP12BAZ2B
SCHEMBL8818379 0.76 ALDH1A1 (0.47) BAZ2BKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL19913401 0.76 BAZ2B (0.50) MMP2BAZ2BLMNATSHR
SCHEMBL2897266 0.76 LMNA (0.46) MMP2MMP1MMP9MMP12KDM4E
SCHEMBL889025 0.72
SCHEMBL889035 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811445-A ANGIOTENSIN II INHIBITORS ROUSSEL UCLAF (FR) 1998-09-22 US disclosed