SCHEMBL5596324

SCHEMBL5596324

CC(C)(P)C(c1ccc2ccccc2c1O)c1ccc2ccccc2c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 4/20 0.47
PTPN22 Q9Y2R2 1/20 0.46
HSP90AA1 P07900 1/20 0.40
HSD17B10 Q99714 2/20 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
LDHA P00338 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5595960 0.76 MEN1 (0.49) PTPN22HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL4138605 0.76 PTPN22 (0.54) RCE1PTPN22HSP90AA1HSD17B10CYP1A2
SCHEMBL5596420 0.76 PTPN22 (0.54) RCE1PTPN22HSP90AA1HSD17B10CYP1A2
SCHEMBL17540622 0.74 PTPN22 (0.52) RCE1PTPN22HSP90AA1HSD17B10LDHA
SCHEMBL5596451 0.73 HSD17B10 (0.56) PTPN22HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL5596446 0.73 RCE1 (0.53) RCE1PTPN22HSP90AA1HSD17B10CYP1A2
SCHEMBL7305915 0.72 PTPN22 (0.54) RCE1PTPN22HSP90AA1HSD17B10CYP1A2
SCHEMBL11374363 0.70 TSHR (0.53) RCE1PTPN22HSP90AA1LDHATSHR
SCHEMBL18537228 0.70 PTPN22 (0.47) RCE1PTPN22HSP90AA1LDHAMAPT
SCHEMBL8759057 0.70 RCE1 (0.58) RCE1PTPN22HSP90AA1LDHAMEN1

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