SCHEMBL5596181

SCHEMBL5596181

COc1cc(C)c(O)c(P(c2cc(OC)cc(C)c2O)c2c(C)cc(C)cc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
CYP3A4 P08684 3/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 3/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GLA P06280 1/20 0.33
ELANE P08246 1/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 2/20 0.32
KMT2A Q03164 1/20 0.32
RAPGEF4 Q8WZA2 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL5596863 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL5596170 0.77 CYP3A4 (0.43) PTPN1CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL5596039 0.75 MEN1 (0.41) PTPN1CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL4305136 0.75 ALDH1A1 (0.50) PTPN1CYP3A4ALDH1A1KDM4EGAA
SCHEMBL3047027 0.73 CYP3A4 (0.56) PTPN1CYP3A4ALDH1A1HPGDALOX5
SCHEMBL5596273 0.72 CYP3A4 (0.41) PTPN1CYP3A4ALDH1A1HPGDALOX5
SCHEMBL5596377 0.72 CA1 (0.44) PTPN1CYP3A4ALDH1A1HPGDALOX5
SCHEMBL5596194 0.72 CYP3A4 (0.39) PTPN1CYP3A4ALDH1A1HPGDALOX5
SCHEMBL5595890 0.72 CYP3A4 (0.39) PTPN1CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL5596246 0.70 ALDH1A1 (0.46) CYP3A4ALDH1A1KDM4EMAPTGAA

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