SCHEMBL16620344

SCHEMBL16620344

O=C(CCCCC(=O)OCc1ccccc1)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.47
FGF1 P05230 2/20 0.45
FGF2 P09038 2/20 0.45
VEGFA P15692 2/20 0.45
HPSE Q9Y251 2/20 0.45
SLC6A2 P23975 2/20 0.44
CD209 Q9NNX6 2/20 0.44
PRKCA P17252 1/20 0.43
MMP13 P45452 1/20 0.43
MAOB P27338 1/20 0.40
MDK P21741 1/20 0.40
LGALS3 P17931 1/20 0.40
GJA1 P17302 1/20 0.38
GJB2 P29033 1/20 0.38
ENGASE Q8NFI3 1/20 0.38

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
SCHEMBL30891482 1.00 LGALS8 (0.47) LGALS8FGF1FGF2VEGFAHPSE
SCHEMBL29894477 1.00 LGALS8 (0.47) LGALS8FGF1FGF2VEGFAHPSE
SCHEMBL29602620 0.94 LGALS8 (0.47) LGALS8FGF1FGF2VEGFAHPSE
SCHEMBL15130853 0.94 MMP13 (0.47) LGALS8FGF1FGF2VEGFAHPSE
SCHEMBL18132301 0.93 LGALS8 (0.42) LGALS8FGF1FGF2VEGFAHPSE
SCHEMBL30891307 0.92 MMP13 (0.46) LGALS8FGF1FGF2VEGFAHPSE
SCHEMBL30891274 0.92 LGALS8 (0.41) LGALS8FGF1FGF2VEGFAHPSE
SCHEMBL30891273 0.92 MMP13 (0.46) LGALS8FGF1FGF2VEGFAHPSE
SCHEMBL30391583 0.92 MMP13 (0.46) LGALS8FGF1FGF2VEGFAHPSE
SCHEMBL30891312 0.92 MMP13 (0.46) LGALS8FGF1FGF2VEGFAHPSE

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-3052134-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES Merck Sharp & Dohme Corp. (US) 2016-08-10 EP disclosed
WO-2015051052-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO disclosed