SCHEMBL5596465

SCHEMBL5596465

CCCP(c1c(O)ccc2ccccc12)c1c(O)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 2/20 0.46
USP2 O75604 1/20 0.46
PAK1 Q13153 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
TAAR1 Q96RJ0 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
G6PD P11413 1/20 0.40
ERN1 O75460 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
SCHEMBL5596217 0.90 CYP1A2 (0.43) HSD17B10CYP1A2USP2PAK1CYP2C9
SCHEMBL5596936 0.86 HSD17B10 (0.48) HSD17B10CYP1A2USP2PAK1CYP2C9
SCHEMBL5605244 0.80 CYP1A2 (0.50) HSD17B10CYP1A2USP2PAK1CYP2C9
SCHEMBL5596870 0.77 PTPN22 (0.56) HSD17B10CYP1A2USP2PAK1CYP2C9
SCHEMBL5596128 0.76 HSD17B10 (0.46) HSD17B10CYP1A2USP2PAK1CYP2C9
SCHEMBL5595995 0.76 PTPN22 (0.46) USP2PAK1PTPN22
SCHEMBL5596928 0.73 PTPN22 (0.50) HSD17B10CYP1A2USP2PAK1CYP2C9
SCHEMBL5596544 0.71 USP2 (0.48) HSD17B10CYP1A2USP2PAK1CYP2C9
SCHEMBL5595961 0.71 PTPN22 (0.48) HSD17B10CYP1A2USP2PAK1CYP2C9
SCHEMBL15657827 0.71 ALDH1A1 (0.40) HSD17B10CYP1A2CYP2C9CYP2C19MAPT

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