Zinc Ion

Zinc Ion

SCHEMBL9440449

CCCCOc1ccc(C(=O)[O-])nc1.CCCCOc1ccc(C(=O)[O-])nc1.[Zn+2]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 4/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 3/20 0.43
LMNA P02545 2/20 0.43
HIF1A Q16665 2/20 0.43
PLA2G4B P0C869 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL11474832 0.97 MAPT (0.47) MAPTKDM4EHPGDHTTHSD17B10
Zinc Ion SCHEMBL9440249 0.94 L3MBTL1 (0.44) MAPTKDM4EHPGDHTTHSD17B10
SCHEMBL24756726 0.83 MAPT (0.49) MAPTKDM4EHPGDHTTHSD17B10
SCHEMBL1749748 0.83 KDM4E (0.61) MAPTKDM4EHPGDHTTHSD17B10
Zinc Ion SCHEMBL9440255 0.82 ALDH1A1 (0.44) MAPTKDM4EHSD17B10KMT2ATSHR
SCHEMBL11474833 0.82 KDM4E (0.59) MAPTKDM4EHPGDHTTHSD17B10
SCHEMBL2274826 0.82 KDM4E (0.59) MAPTKDM4EHPGDHTTHSD17B10
SCHEMBL26480953 0.82 MAPT (0.48) MAPTKDM4EHPGDHTTHSD17B10
SCHEMBL10664855 0.81 TSHR (0.59) MAPTKDM4EKMT2ATSHRTP53
SCHEMBL24757913 0.81 TP53 (0.51) MAPTKDM4EHPGDHTTHSD17B10

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