Zinc Ion

Zinc Ion

SCHEMBL9190263

CCOc1c(C(=O)[O-])cc(C(C)(C)C)cc1C(C)(C)C.CCOc1c(C(=O)[O-])cc(C(C)(C)C)cc1C(C)(C)C.[Zn+2]

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.54
PPARG P37231 14/20 0.54
RARG P13631 6/20 0.54
RARA P10276 3/20 0.41
RARB P10826 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 3/20 0.41
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ELANE P08246 1/20 0.36
CD69 Q07108 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL7792127 0.85 RXRA (0.59) RXRAPPARGRARGRARARARB
SCHEMBL9190271 0.84 RXRA (0.58) RXRAPPARGRARGRARARARB
Zinc Ion SCHEMBL9192203 0.83 RXRA (0.51) RXRAPPARGRARGRARARARB
SCHEMBL6706836 0.81 RXRA (0.57) RXRAPPARGRARGRARARARB
SCHEMBL28114176 0.78 RXRA (0.38) RXRAPPARGRARGRARARARB
SCHEMBL7943266 0.78 RXRA (0.50) RXRAPPARGRARGRARARARB
SCHEMBL18456401 0.74 RXRA (0.45) RXRAPPARGRARGNR5A2NR5A1
Zinc Ion SCHEMBL828960 0.74 NR5A2 (0.52) NR5A2NR5A1MEN1ALDH1A1KMT2A
Zinc Ion SCHEMBL29464024 0.74 NR5A2 (0.52) NR5A2NR5A1MEN1ALDH1A1KMT2A
SCHEMBL7786586 0.73 RXRA (0.51) RXRAPPARGRARGRARARARB

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-0463876-B1 Electrophotographic toner containing a zinc benzoate compound HODOGAYA CHEMICAL CO LTD (JP) 1995-10-04 EP disclosed
US-5368971-A Charge control agents HODOGAYA CHEMICAL CO., LTD. (JP) 1994-11-29 US disclosed
EP-0463876-A1 Electrophotographic toner containing a zinc benzoate compound HODOGAYA CHEMICAL CO LTD (JP) 1992-01-02 EP disclosed