SCHEMBL9187547

SCHEMBL9187547

CCOc1ccc(C)cc1C(=O)O.[Zn]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
CSNK2A1 P68400 1/20 0.50
KCNMA1 Q12791 1/20 0.48
DHODH Q02127 2/20 0.46
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NOTUM Q6P988 1/20 0.43
S1PR3 Q99500 1/20 0.43
PTPN11 Q06124 1/20 0.43
MRGPRX1 Q96LB2 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
SCHEMBL1641613 0.98 TSHR (0.57) TSHRHSD17B10LMNAKMT2ACSNK2A1
SCHEMBL4602041 0.85 PTPN11 (0.57) TSHRHSD17B10LMNAKMT2AMAPT
SCHEMBL11078865 0.85 PTPN11 (0.52) TSHRLMNAKMT2ACSNK2A1MAPT
SCHEMBL3065130 0.84 CYP3A4 (0.62) TSHRLMNAKMT2AKCNMA1MAPT
SCHEMBL6646454 0.84 TSHR (0.53) TSHRHSD17B10LMNACSNK2A1KCNMA1
SCHEMBL11774385 0.83 PTPN11 (0.58) TSHRLMNAKMT2ACSNK2A1MAPT
SCHEMBL11771803 0.83 PTPN11 (0.65) LMNAKMT2AMAPTHPGDKDM4E
SCHEMBL21887390 0.83 LMNA (0.58) TSHRHSD17B10LMNAKMT2ATDP1
SCHEMBL7860492 0.83 MAPK1 (0.51) TSHRHSD17B10LMNAKMT2AKCNMA1
SCHEMBL15423768 0.83 KCNMA1 (0.48) TSHRHSD17B10LMNAKMT2AKCNMA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4211691-A None JP disclosed
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
JP-H04211691-A ZINC BENZOATE SALT COMPOUND AND ELECTRONIC PHOTOGRAPHY TONER USING THE SAME HODOGAYA CHEM CO LTD 1992-08-03 JP disclosed
EP-0463876-A1 Electrophotographic toner containing a zinc benzoate compound HODOGAYA CHEMICAL CO LTD (JP) 1992-01-02 EP disclosed