SCHEMBL3261435

SCHEMBL3261435

CCOC(=O)Cc1cc(OCC)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL5599738 0.78 HCAR2 (0.63) SMN1; SMN2LMNAHCAR2
SCHEMBL31475447 0.76 SMN1; SMN2 (0.49) SMN1; SMN2CA12CA9CA1CA2
SCHEMBL5107095 0.76 PDE3B (0.40) SMN1; SMN2ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL3261535 0.74 ALPL (0.54) SMN1; SMN2ALDH1A1LMNARAB9AKDM4E
SCHEMBL2725056 0.74
SCHEMBL1923718 0.72 KDM4E (0.49) SMN1; SMN2CA12CA9CA1CA2
SCHEMBL8720083 0.72 SMN1; SMN2 (0.51) SMN1; SMN2CA12CA9CA1CA2
SCHEMBL8010853 0.71 PDE3B (0.39) SMN1; SMN2ALDH1A1KDM4EHCAR2
SCHEMBL22191575 0.70 ALK (0.58) SMN1; SMN2ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL3204772 0.70 CYP4F2 (0.39) SMN1; SMN2ALDH1A1LMNAKDM4EHSD17B10

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
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed