SCHEMBL672020

SCHEMBL672020

CCCCCCCCO[C@H]1O[C@H](COCCO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF2R P11717 4/20 0.52
MAPK1 P28482 1/20 0.49
GJB2 P29033 5/20 0.48
LGALS8 O00214 1/20 0.45
LGALS3 P17931 1/20 0.45
LGALS4 P56470 1/20 0.45
GBA1 P04062 1/20 0.45
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
TLR4 O00206 1/20 0.43

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
SCHEMBL8864499 0.93 IGF2R (0.56) IGF2RMAPK1GJB2LGALS8LGALS3
SCHEMBL8864321 0.93 IGF2R (0.56) IGF2RMAPK1GJB2LGALS8LGALS3
SCHEMBL5145571 0.93 IGF2R (0.56) IGF2RMAPK1GJB2LGALS8LGALS3
SCHEMBL8686568 0.92 IGF2R (0.55) IGF2RMAPK1GJB2LGALS8LGALS3
SCHEMBL8691787 0.92 IGF2R (0.55) IGF2RMAPK1GJB2LGALS8LGALS3
SCHEMBL8687950 0.92 IGF2R (0.55) IGF2RMAPK1GJB2LGALS8LGALS3
SCHEMBL28155326 0.86 GJB2 (0.50) IGF2RMAPK1GJB2GBA1TLR4
SCHEMBL20684592 0.84 MAPK1 (0.60) IGF2RMAPK1GJB2LGALS8LGALS3
SCHEMBL23016771 0.84 MAPK1 (0.65) IGF2RMAPK1GJB2LGALS8LGALS3
SCHEMBL21067398 0.84 MAPK1 (0.65) IGF2RMAPK1GJB2LGALS8LGALS3

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-2012024688-A1 MULTIPHASE SYSTEMS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-23 WO disclosed