SCHEMBL5596306

SCHEMBL5596306

CC(C)P(c1ccc2ccccc2c1O)c1ccc2ccccc2c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.50
LDHA P00338 1/20 0.43
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 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
SCHEMBL5596424 0.80 PTPN22 (0.54) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL5596437 0.76 PTPN22 (0.48) PTPN22LDHAHSD17B10CYP1A2CYP2C9
SCHEMBL5596903 0.76 PTPN22 (0.53) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL5596328 0.76 PTPN22 (0.48) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL5596928 0.73 PTPN22 (0.50) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL5596299 0.73 PTPN22 (0.50) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL5595995 0.73 PTPN22 (0.46) PTPN22LDHA
SCHEMBL4138605 0.72 PTPN22 (0.54) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL17540622 0.71 PTPN22 (0.52) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL5595937 0.70 PTPN22 (0.43) PTPN22LDHAHSD17B10MEN1NPC1

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
US-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed