SCHEMBL5596355

SCHEMBL5596355

CCCCc1cc(C)cc(P(Cc2ccccc2)c2cc(C)cc(CCCC)c2O)c1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.36
DRD2 P14416 3/20 0.35
OPRM1 P35372 3/20 0.35
DRD3 P35462 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CETP P11597 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL5596949 0.88 NPC1 (0.38) TYRDRD2OPRM1DRD3OPRD1
SCHEMBL5596553 0.81 TYR (0.39) TYRNPC1HPGDMAPK1HTT
SCHEMBL5596984 0.81 TYR (0.37) TYRHPGDHTTALOX5
SCHEMBL5596040 0.80 HTT (0.38) TYRNPC1HPGDMAPK1HTT
SCHEMBL5596404 0.80 HTT (0.38) TYRNPC1HPGDMAPK1HTT
SCHEMBL5596087 0.80 NPC1 (0.41) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL5596396 0.79 ALDH1A1 (0.34) TYRHPGDHTTALOX5
SCHEMBL5596432 0.78 GAA (0.40) HTTNPSR1ALOX5
SCHEMBL5596241 0.76 ALDH1A1 (0.34) TYRHPGDHTTALOX5
SCHEMBL5596611 0.76 TYR (0.40) TYRNPC1HPGDMAPK1HTT

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