SCHEMBL5596040

SCHEMBL5596040

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
TYR P14679 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 5/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS2 P35354 3/20 0.36
MAOA P21397 1/20 0.34
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL5596404 0.94 HTT (0.38) HTTTYRMAPTALDH1A1SMN1; SMN2
SCHEMBL5596553 0.89 TYR (0.39) HTTTYRMAPTALDH1A1SMN1; SMN2
SCHEMBL5596669 0.84 NPC1 (0.43) HTTTYRALOX5NPC1HPGD
SCHEMBL5596611 0.83 TYR (0.40) HTTTYRMAPTALDH1A1SMN1; SMN2
SCHEMBL5596042 0.81 ALDH1A1 (0.38) HTTMAPTALDH1A1NPC1HPGD
SCHEMBL5596187 0.81 HTT (0.40) HTTTYRMAPTALDH1A1SMN1; SMN2
SCHEMBL280118 0.80 TYR (0.48) HTTTYRMAPTALDH1A1SMN1; SMN2
SCHEMBL5596355 0.80 TYR (0.36) HTTTYRALOX5NPC1HPGD
SCHEMBL5596252 0.79 SMN1; SMN2 (0.37) HTTTYRMAPTALDH1A1SMN1; SMN2
SCHEMBL5596119 0.79 HTT (0.37) HTTTYRMAPTALDH1A1SMN1; SMN2

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