SCHEMBL4082399

SCHEMBL4082399

CCOCC(O)CCC(O)COC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LPAR5 Q9H1C0 1/20 0.31
CASR P41180 1/20 0.30

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
SCHEMBL14904891 0.90
SCHEMBL5832233 0.90
SCHEMBL14904954 0.90
SCHEMBL19257468 0.84 MAPT (0.40) HSD17B10USP2MAPT
SCHEMBL25904007 0.83 HSD17B10 (0.34) HSD17B10KDM4EUSP2HTTTSHR
SCHEMBL437065 0.80
SCHEMBL698450 0.79 KDM4E (0.46) HSD17B10KDM4EUSP2HTTTSHR
SCHEMBL5573097 0.78
SCHEMBL12020546 0.77
SCHEMBL135974 0.77

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060608-A1 Preparation of epsilon copper phthalocyanine of small primary particle size and narrow particle size distribution by kneading SOLVAY (Société Anonyme) (BE) 2009-05-20 EP disclosed