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SCHEMBL16628231

SCHEMBL16628231

CNC(=O)CCCCCNC(=O)CN(CC(=O)NCCCCCC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)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 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.47
▸ HPSE Q9Y251 4/20 0.44
▸ FGF1 P05230 3/20 0.44
▸ FGF2 P09038 3/20 0.44
▸ VEGFA P15692 1/20 0.44
▸ SELP P16109 3/20 0.41
▸ CD209 Q9NNX6 2/20 0.41
▸ GJB2 P29033 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MDK P21741 1/20 0.39
▸ SELL P14151 2/20 0.38
▸ LGALS8 O00214 2/20 0.37
▸ LGALS3 P17931 2/20 0.37
▸ LGALS4 P56470 2/20 0.37
▸ SELE P16581 2/20 0.37
▸ ENGASE Q8NFI3 1/20 0.37

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
SCHEMBL19860816 0.99 MMP13 (0.46) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL16628168 0.99 MMP13 (0.46) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL18164223 0.98 MMP13 (0.46) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL23316832 0.95 MMP13 (0.43) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL16628210 0.95 MMP13 (0.48) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL23316916 0.95 MMP13 (0.48) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL16644765 0.94 MMP13 (0.47) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL16640842 0.94 MMP13 (0.47) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL16640798 0.94 MMP13 (0.47) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL18164176 0.94 MMP13 (0.47) MMP13HPSEFGF1FGF2VEGFA

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-B1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME (US) 2021-05-05 — — EP disclosed
WO-2015051052-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2015-04-09 — — WO disclosed
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