Zinc Ion

Zinc Ion

SCHEMBL9440280

CCCCCCCCCCCc1cccc(C(=O)[O-])n1.CCCCCCCCCCCc1cccc(C(=O)[O-])n1.[Zn+2]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.64
LTB4R Q15722 4/20 0.44
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
PTGER1 P34995 2/20 0.40
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL9096019 0.86 KCNH2 (0.66) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL22096768 0.84 KCNH2 (0.64) KCNH2LTB4RBIDMCL1BCL2L1
SCHEMBL2274224 0.84 KCNH2 (0.64) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL5488837 0.84 KCNH2 (0.62) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL15440738 0.83 KCNH2 (0.61) KCNH2LTB4RBIDMCL1BCL2L1
SCHEMBL25137284 0.80 KCNH2 (0.57) KCNH2
Bicarbonate SCHEMBL10966197 0.80 KCNH2 (0.78) KCNH2LTB4RBIDMCL1BCL2L1
SCHEMBL6463178 0.79 KCNH2 (1.00) KCNH2GPR84
SCHEMBL10790586 0.79 KCNH2 (1.00) KCNH2GPR84
SCHEMBL31246249 0.79 KCNH2 (1.00) KCNH2GPR84

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