SCHEMBL21148460

SCHEMBL21148460

OC1C(OCc2ccccc2)[C@H](O)C(COCc2ccccc2)O[C@H]1OC1C(OCc2ccccc2)[C@H](O)C(COCc2ccccc2)O[C@H]1OCCCCCCI

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 2/20 0.46
▸ SSTR1 P30872 6/20 0.46
▸ SSTR2 P30874 6/20 0.46
▸ SSTR4 P31391 6/20 0.46
▸ SSTR3 P32745 6/20 0.46
▸ SSTR5 P35346 6/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ TACR1 P25103 3/20 0.45
▸ LGALS3 P17931 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ NT5E P21589 1/20 0.40
▸ GJA1 P17302 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ CDC25B P30305 1/20 0.39

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
SCHEMBL21149182 0.93 SSTR1 (0.49) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL21148461 0.86 SSTR1 (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL24107740 0.82 LGALS3 (0.49) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL5909798 0.82 SSTR1 (0.50) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL3240746 0.82 SSTR1 (0.50) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14088874 0.82 GJB2 (0.47) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL3233638 0.81 SSTR1 (0.49) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL3237161 0.81 SSTR1 (0.49) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL3233658 0.81 SSTR1 (0.49) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL4928707 0.81 GJB2 (0.57) 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-2019136399-A1 ACIDIC DYSTROGLYCAN OLIGOSACCHARIDE COMPOUND AND METHOD FOR MAKING SAME UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-07-11 — — WO disclosed
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