SCHEMBL21149838

SCHEMBL21149838

[N-]=[N+]=NCCO[C@@H]1OC(COCc2ccccc2)[C@@H](O)C(OCc2ccccc2)C1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.47
▸ CD209 Q9NNX6 1/20 0.47
▸ SLC6A2 P23975 2/20 0.44
▸ GJB2 P29033 1/20 0.42
▸ NT5E P21589 1/20 0.41
▸ SSTR4 P31391 3/20 0.39
▸ SSTR1 P30872 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ SSTR5 P35346 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ MCHR1 Q99705 2/20 0.38
▸ TACR2 P21452 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL19682250 0.95 CD209 (0.45) LGALS3CD209SLC6A2GJB2NT5E
SCHEMBL21258926 0.94 CD209 (0.45) LGALS3CD209SLC6A2GJB2NT5E
SCHEMBL29233702 0.88 LGALS3 (0.48) LGALS3GJB2NT5ESSTR4SSTR1
SCHEMBL25270558 0.85 LGALS3 (0.48) LGALS3CD209SLC6A2GJB2NT5E
SCHEMBL20648775 0.85 LGALS3 (0.48) LGALS3CD209SLC6A2GJB2NT5E
SCHEMBL28770854 0.83 NT5E (0.47) LGALS3CD209SLC6A2GJB2NT5E
SCHEMBL13557604 0.83 CD209 (0.47) LGALS3CD209SLC6A2GJB2SSTR4
SCHEMBL19682252 0.82 NT5E (0.44) LGALS3NT5ESSTR4SSTR1SSTR2
SCHEMBL19196760 0.82 CD209 (0.45) LGALS3CD209SLC6A2GJB2SSTR4
SCHEMBL21148471 0.81 LGALS3 (0.40) LGALS3CD209SLC6A2SSTR4SSTR1

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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