SCHEMBL21149182

SCHEMBL21149182

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 6/20 0.49
▸ SSTR2 P30874 6/20 0.49
▸ SSTR4 P31391 6/20 0.49
▸ SSTR3 P32745 6/20 0.49
▸ SSTR5 P35346 6/20 0.49
▸ SLC6A2 P23975 2/20 0.44
▸ TACR1 P25103 3/20 0.44
▸ NT5E P21589 1/20 0.43
▸ GJB2 P29033 1/20 0.43
▸ ADRB2 P07550 1/20 0.42
▸ PTPN1 P18031 2/20 0.40
▸ CDC25B P30305 2/20 0.40

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
SCHEMBL21148460 0.93 GJB2 (0.46) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL24107870 0.85 SSTR4 (0.66) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL26273937 0.83 SSTR1 (0.53) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14502553 0.82 SSTR1 (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10523689 0.81 NT5E (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL977852 0.81 NT5E (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10523693 0.81 NT5E (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8221413 0.81 NT5E (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18744555 0.81 NT5E (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL414620 0.80 TACR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5

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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