SCHEMBL9516665

SCHEMBL9516665

NC1(C(=O)O)OCCOCCOCCOCCOCCOC1(N)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.32
NSD2 O96028 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GRM4 Q14833 4/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C19 P33261 2/20 0.30
TTR P02766 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 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
SCHEMBL9516626 1.00 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10NSD2KDM4EGRM4
SCHEMBL9516594 0.76 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL3147412 0.74 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10KDM4ETTR
Water SCHEMBL5482872 0.72 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10KDM4ETTR
Acetic Acid SCHEMBL8865239 0.68 FFAR3 (0.54) SMN1; SMN2HSD17B10KDM4EALDH1A1TTR
Dioxane SCHEMBL29086945 0.68 FFAR3 (0.54) SMN1; SMN2HSD17B10KDM4EALDH1A1TTR
Dioxane SCHEMBL21066036 0.68 ACHE (0.54) SMN1; SMN2HSD17B10KDM4EALDH1A1TTR
Dioxane SCHEMBL575055 0.68 FFAR3 (0.54) SMN1; SMN2HSD17B10KDM4EALDH1A1TTR
Dioxane SCHEMBL9684295 0.67 TTR (0.55) SMN1; SMN2HSD17B10KDM4EALDH1A1TTR
Dioxane SCHEMBL3328113 0.67 TTR (0.55) SMN1; SMN2HSD17B10KDM4EALDH1A1TTR

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-0341409-B1 Platinum (II) complexes, their preparation and use as antitumour agents BOEHRINGER MANNHEIM ITALIA (IT) 1993-12-29 EP claimed