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SCHEMBL16628168

SCHEMBL16628168

CNC(=O)CCCCCNC(=O)CN(CC(=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 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.46
▸ FGF1 P05230 1/20 0.43
▸ FGF2 P09038 1/20 0.43
▸ VEGFA P15692 1/20 0.43
▸ HPSE Q9Y251 1/20 0.43
▸ CD209 Q9NNX6 2/20 0.42
▸ SELP P16109 3/20 0.41
▸ 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
▸ SELL P14151 2/20 0.38
▸ GJB2 P29033 1/20 0.38
▸ MDK P21741 1/20 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 1.00 MMP13 (0.46) MMP13FGF1FGF2VEGFAHPSE
SCHEMBL16628231 0.99 MMP13 (0.47) MMP13FGF1FGF2VEGFAHPSE
SCHEMBL18164223 0.98 MMP13 (0.46) MMP13FGF1FGF2VEGFAHPSE
SCHEMBL23316916 0.96 MMP13 (0.48) MMP13FGF1FGF2VEGFAHPSE
SCHEMBL16628210 0.96 MMP13 (0.48) MMP13FGF1FGF2VEGFAHPSE
SCHEMBL23316832 0.95 MMP13 (0.43) MMP13FGF1FGF2VEGFAHPSE
SCHEMBL23317036 0.94 MMP13 (0.46) MMP13FGF1FGF2VEGFAHPSE
SCHEMBL16644765 0.93 MMP13 (0.47) MMP13FGF1FGF2VEGFAHPSE
SCHEMBL18161281 0.93 MMP13 (0.47) MMP13FGF1FGF2VEGFAHPSE
SCHEMBL16640842 0.93 MMP13 (0.47) MMP13FGF1FGF2VEGFAHPSE

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 3 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
US-9884125-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2018-02-06 — — US disclosed
WO-2015051052-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2015-04-09 — — WO disclosed
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