Zinc Ion

Zinc Ion

SCHEMBL1999540

CCCCc1cccc(C(=O)[O-])c1O.CCCCc1cccc(C(=O)[O-])c1O.[Zn+2]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.48
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
HMGB1 P09429 1/20 0.45
BID P55957 4/20 0.44
MCL1 Q07820 4/20 0.44
BCL2L1 Q07817 3/20 0.44
BAK1 Q16611 3/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
ELANE P08246 2/20 0.43
CTSG P08311 2/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL8625728 0.97 IAPP (0.48) IAPPALOX5PTGS2HMGB1BID
SCHEMBL1640151 0.97 IAPP (0.48) IAPPALOX5PTGS2HMGB1BID
Zinc Ion SCHEMBL10584384 0.94 BID (0.52) IAPPALOX5PTGS2BIDMCL1
Zinc Ion SCHEMBL7084049 0.94 BID (0.52) IAPPALOX5PTGS2BIDMCL1
Zinc Ion SCHEMBL10581371 0.94 BID (0.52) IAPPALOX5PTGS2BIDMCL1
SCHEMBL9790326 0.91 BID (0.52) IAPPALOX5PTGS2BIDMCL1
SCHEMBL31372911 0.91 BID (0.52) IAPPALOX5PTGS2BIDMCL1
SCHEMBL11169533 0.91 BID (0.52) IAPPALOX5PTGS2BIDMCL1
SCHEMBL3517528 0.91 BID (0.52) IAPPALOX5PTGS2BIDMCL1
SCHEMBL11125907 0.91 BID (0.52) IAPPALOX5PTGS2BIDMCL1

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
JP-10286825-A None JP disclosed
US-20110151255-A1 NANOFIBER AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-06-23 US disclosed
JP-H10286825-A METHOD FOR CONVEYING AND/OR MELT-KNEADING POWDER MITSUBISHI CHEM CORP 1998-10-27 JP disclosed