SCHEMBL9190271

SCHEMBL9190271

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.58
PPARG P37231 14/20 0.58
RARG P13631 6/20 0.58
RARA P10276 3/20 0.44
RARB P10826 3/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 3/20 0.44
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41
ELANE P08246 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CD69 Q07108 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL7792127 0.98 RXRA (0.59) RXRAPPARGRARGRARARARB
SCHEMBL7792776 0.84 RXRA (0.45) RXRAPPARGRARGRXRBELANE
Zinc Ion SCHEMBL9190263 0.84 RXRA (0.54) RXRAPPARGRARGRARARARB
SCHEMBL6674565 0.84 RXRA (0.46) RXRAPPARGRARGRARARARB
SCHEMBL7792928 0.83 RXRA (0.44) RXRAPPARGRARGTSHRHSD17B10
SCHEMBL9192206 0.83 RXRA (0.55) RXRAPPARGRARGRARARARB
SCHEMBL6706836 0.82 RXRA (0.57) RXRAPPARGRARGRARARARB
SCHEMBL5665923 0.81 RXRA (0.56) RXRAPPARGRARGRARARARB
SCHEMBL8862679 0.81 RXRA (0.44) RXRAPPARGRARGRARARARB
SCHEMBL7943266 0.79 RXRA (0.50) 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