SCHEMBL13635133

SCHEMBL13635133

CCOC(=O)c1cccc(OCC2CCCO2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 7/20 0.50
NPC1 O15118 4/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL28876868 0.88 HPGD (0.60) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL28322545 0.88 HPGD (0.60) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL29440964 0.88 HPGD (0.60) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL8207167 0.87 SMN1; SMN2 (0.59) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL29171418 0.85 HPGD (0.62) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL2743575 0.84 TDP1 (0.49) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL931524 0.82 HPGD (0.52) SMN1; SMN2HPGDRAB9ATDP1
SCHEMBL931179 0.81 HPGD (0.54) SMN1; SMN2HPGDRAB9ATDP1
SCHEMBL29171440 0.80 HPGD (0.56) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL13125236 0.80 RAB9A (0.54) SMN1; SMN2MAPTHPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119722-A1 Labelled nucleotides Illumina Cambridge Limited (GB) 2009-11-18 EP disclosed
EP-1560838-B1 LABELLED NUCLEOTIDES ILLUMINA CAMBRIDGE LTD (GB) 2009-05-13 EP disclosed