SCHEMBL5596161

SCHEMBL5596161

CC(O)P(c1cccc(Cl)c1)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
RECQL P46063 1/20 0.41
PNMT P11086 1/20 0.40
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 2/20 0.36
OGG1 O15527 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
ITGA5 P08648 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNA3 P32297 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH1 P35367 1/20 0.36
CHRNA7 P36544 1/20 0.36
OPRK1 P41145 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL5596879 0.73 CYP3A4 (0.41) TSHRALOX15CYP2C19ALDH1A1TDP1
SCHEMBL197486 0.71 ALDH1A1 (0.46) TSHRPNMTALDH1A1PARP1TDP1
SCHEMBL29851249 0.71 ALDH1A1 (0.46) TSHRPNMTALDH1A1PARP1TDP1
SCHEMBL31561762 0.69 ALDH1A1 (0.44) TSHRPNMTALDH1A1PARP1TDP1
SCHEMBL2155168 0.69 ALDH1A1 (0.44) TSHRPNMTALDH1A1PARP1TDP1
SCHEMBL819310 0.68 MEN1 (0.47) TSHRRECQLPNMT
SCHEMBL819047 0.68 MEN1 (0.47) TSHRRECQLPNMT
SCHEMBL15943135 0.68 MEN1 (0.47) TSHRRECQLPNMT
SCHEMBL343771 0.68 MEN1 (0.47) TSHRRECQLPNMT
SCHEMBL2154288 0.67 ALDH1A1 (0.42) TSHRPNMTSLC6A4CYP2C19ALDH1A1

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