SCHEMBL5596102

SCHEMBL5596102

O/C=C/P(/C=C/O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.35
CHRM5 P08912 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PARP1 P09874 1/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HTR3E A5X5Y0 3/20 0.33
HTR3B O95264 3/20 0.33
HTR3A P46098 3/20 0.33
HTR3D Q70Z44 3/20 0.33
HTR3C Q8WXA8 3/20 0.33
ALOX5 P09917 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL5596469 0.79 TSHR (0.36) TSHRALDH1A1CHRM5CYP1A2CYP2C9
SCHEMBL5596471 0.79 TSHR (0.36) TSHRALDH1A1CHRM5CYP1A2CYP2C9
SCHEMBL5595991 0.73 TDP1 (0.41)
SCHEMBL29851249 0.71 ALDH1A1 (0.46) TSHRALDH1A1CHRM5PARP1MAPT
SCHEMBL197486 0.71 ALDH1A1 (0.46) TSHRALDH1A1CHRM5PARP1MAPT
SCHEMBL2155168 0.69 ALDH1A1 (0.44) TSHRALDH1A1CHRM5PARP1MAPT
SCHEMBL31561762 0.69 ALDH1A1 (0.44) TSHRALDH1A1CHRM5PARP1MAPT
SCHEMBL2154288 0.67 ALDH1A1 (0.42) TSHRALDH1A1CHRM5CYP1A2CYP2C9
SCHEMBL5613760 0.67 TSHR (0.43) TSHRALDH1A1PARP1MAPTHTT
SCHEMBL5596106 0.67 TSHR (0.39) TSHRALDH1A1CHRM5CYP1A2CYP2C9

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