SCHEMBL22769170

SCHEMBL22769170

O=C(CCC(=O)NCCO[C@H]1OC(CO)[C@@H](O)C(O)C1O)NCCO[C@H]1OC(CO)[C@@H](O)C(O)C1O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF2R P11717 2/20 0.46
GAA P10253 1/20 0.44
LGALS8 O00214 1/20 0.44
LGALS3 P17931 1/20 0.44
LGALS4 P56470 1/20 0.44
PYGB P11216 2/20 0.43
MAOB P27338 1/20 0.43
MAPK1 P28482 1/20 0.42
MMP1 P03956 1/20 0.41
MMP7 P09237 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL13713747 0.93 IGF2R (0.41) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL16644773 0.90 GJB2 (0.44) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL29415375 0.90 IGF2R (0.49) IGF2RLGALS8LGALS3LGALS4MAOB
SCHEMBL17776041 0.90 MMP13 (0.42) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL15133472 0.89 PYGB (0.51) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL21845982 0.89 GAA (0.43) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL21845897 0.89 GAA (0.43) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL17451459 0.89 PYGB (0.51) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL16092079 0.88 GJB2 (0.46) IGF2RLGALS8LGALS3LGALS4MAPK1
SCHEMBL16640877 0.88 GJB2 (0.46) IGF2RGAALGALS8LGALS3LGALS4

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-2020247297-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2020-12-10 WO disclosed