Zinc Ion

Zinc Ion

SCHEMBL9440249

CCCOc1ccc(C(=O)[O-])nc1.CCCOc1ccc(C(=O)[O-])nc1.[Zn+2]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
PLK1 P53350 1/20 0.44
LMNA P02545 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
P4HTM Q9NXG6 2/20 0.42
LTA4H P09960 1/20 0.41
MAPT P10636 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40

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
Zinc Ion SCHEMBL9440449 0.94 MAPT (0.47) L3MBTL1LMNACA12CA1CA2
SCHEMBL11474832 0.90 MAPT (0.47) L3MBTL1LMNACA12CA1CA2
SCHEMBL3630216 0.83 P4HTM (0.59) L3MBTL1PLK1LMNAP4HTMMAPT
SCHEMBL27812383 0.82 L3MBTL1 (0.49) L3MBTL1PLK1LMNAP4HTMLTA4H
SCHEMBL6309786 0.82 L3MBTL1 (0.45) L3MBTL1PLK1LMNACA12CA1
SCHEMBL2274462 0.82 P4HTM (0.58) L3MBTL1PLK1LMNAP4HTMMAPT
SCHEMBL24756726 0.77 MAPT (0.49) L3MBTL1LMNAMAPTKDM4EHPGD
SCHEMBL1749748 0.77 KDM4E (0.61) L3MBTL1LMNAP4HTMMAPTKDM4E
Zinc Ion SCHEMBL9440255 0.77 ALDH1A1 (0.44) L3MBTL1LMNACA2P4HTMMAPT
SCHEMBL16011698 0.76 P4HTM (0.58) L3MBTL1LMNACA1CA2P4HTM

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
EP-0433457-B1 ANTIPRURITIC COMPOSITION SHISEIDO CO LTD (JP) 1994-10-19 EP disclosed
US-5219847-A Antipruritic composition SHISEIDO COMPANY, LTD. (JP) 1993-06-15 US disclosed
EP-0433457-A1 ANTIPRURITIC COMPOSITION SHISEIDO COMPANY LIMITED (JP) 1991-06-26 EP disclosed