SCHEMBL14221772

SCHEMBL14221772

CCCCOCC1O[C@H](OC)C(OCCCC)C(OCCCC)[C@@H]1O[C@@H]1OC(CC)(C(=O)OC)[C@@H](O)C(OC)C1OC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 4/20 0.38
▸ SSTR1 P30872 1/20 0.37
▸ SSTR2 P30874 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ SSTR5 P35346 1/20 0.37
▸ TNF P01375 3/20 0.35
▸ PTPN2 P17706 2/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ HPSE Q9Y251 5/20 0.32
▸ FGF1 P05230 3/20 0.32
▸ FGF2 P09038 3/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ SERPINC1 P01008 1/20 0.30

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
SCHEMBL13381063 0.82 PTPN1 (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL12777936 0.77 GJB2 (0.42) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14846435 0.77 GJB2 (0.42) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL16160499 0.76 SSTR1 (0.50) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14846437 0.76 GJB2 (0.45) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL13381060 0.75 PTPN1 (0.47) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL19277305 0.74 SSTR1 (0.42) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL16770611 0.74 SSTR1 (0.54) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL19356278 0.74 SSTR1 (0.54) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL13605427 0.74 SSTR1 (0.54) GJB2SSTR1SSTR2SSTR4SSTR3

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-2008041131-A2 ANTICOAGULANT COMPOUNDS ENDOTIS PHARMA (FR) 2008-04-10 — — WO disclosed
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