Sugi Predict

Sugi Predict / Compounds / SCHEMBL17521736

SCHEMBL17521736

SCHEMBL17521736

CCC1(C(=O)O)OC(OC2C(COS(=O)(=O)O)OC(OC3C(C(=O)O)CO[C@@H](C(O)OC4C(COS(=O)(=O)O)OC(OC)C(OS(=O)(=O)O)C4OC)C3OC)C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OC)C(OC)C1OC1OC(COS(=O)(=O)O)C(OCCOCCOCCOCCNC(=O)CCCCC2SCC3NC(=O)NC32)C(OC)C1OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MDK P21741 4/20 0.42
▸ FOLH1 Q04609 7/20 0.36
▸ F2 P00734 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ TPSAB1 Q15661 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ PKM P14618 2/20 0.35
▸ FGF1 P05230 1/20 0.34
▸ FGF2 P09038 1/20 0.34
▸ VEGFA P15692 1/20 0.34
▸ HPSE Q9Y251 1/20 0.34
▸ LY6K Q17RY6 1/20 0.33
▸ CAPN1 P07384 2/20 0.33

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
SCHEMBL13551197 0.76 MDK (0.49) MDKFOLH1F2PRSS1PRSS2
SCHEMBL12458589 0.76 MDK (0.51) MDKFOLH1F2PRSS1PRSS2
SCHEMBL12799305 0.75 MDK (0.49) MDKFOLH1F2PRSS1PRSS2
SCHEMBL12799327 0.75 MDK (0.49) MDKFOLH1F2PRSS1PRSS2
SCHEMBL4732448 0.74 MDK (0.49) MDKFOLH1F2PRSS1PRSS2
SCHEMBL29435448 0.72 MDK (0.53) MDKF2PRSS1PRSS2PRSS3
SCHEMBL17902153 0.70 SERPINC1 (0.39) F2FGF1
SCHEMBL12606419 0.65 MDK (0.49) MDKFOLH1F2PRSS1PRSS2
SCHEMBL17521737 0.64 SERPINC1 (0.35) —
SCHEMBL12606400 0.64 FGF1 (0.40) MDKFGF1FGF2VEGFAHPSE

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
US-9259389-B2 Pharmaceutical oral dosage form containing a synthetic oligosaccharide ENDOTIS PHARMA (FR) 2016-02-16 — — US disclosed
Send feedback