SCHEMBL5596189

SCHEMBL5596189

CCCCc1cc(C)cc(P(c2cc(C)cc(CCCC)c2O)c2c(C)cc(C)cc2C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TYR P14679 3/20 0.36
MAOA P21397 1/20 0.35
ALOX5 P09917 5/20 0.35
PTGS2 P35354 6/20 0.34
EGFR P00533 1/20 0.32
CYP3A4 P08684 2/20 0.32
GAA P10253 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 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
SCHEMBL5595875 0.91 HTT (0.42) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5596850 0.82 NPC1 (0.45) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5596611 0.81 TYR (0.40) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL30568741 0.80 HTT (0.47) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL549360 0.80 HTT (0.47) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5596553 0.80 TYR (0.39) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5596984 0.79 TYR (0.37) HTTHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL5596187 0.78 HTT (0.40) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5596404 0.78 HTT (0.38) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5596040 0.78 HTT (0.38) HTTNPC1HPGDMAPK1RAB9A

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