SCHEMBL5596110

SCHEMBL5596110

CCCCc1cc(CCCC)c(O)c(P(c2cc(CCCC)cc(CCCC)c2O)C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGS2 P35354 7/20 0.40
CYP3A4 P08684 1/20 0.40
TYR P14679 1/20 0.37
ALOX5 P09917 4/20 0.36
EGFR P00533 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL5596252 0.84 SMN1; SMN2 (0.37) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5595954 0.84 HTT (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5596919 0.82 NPC1 (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5596579 0.81 NPC1 (0.44) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5596557 0.79 NPC1 (0.43) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5596010 0.79 NPC1 (0.43) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5596669 0.79 NPC1 (0.43) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL201692 0.79 NPC1 (0.57) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5596200 0.78 NPC1 (0.42) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28424598 0.78 NPC1 (0.52) NPC1HPGDMAPK1HTTRAB9A

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