SCHEMBL12612549

SCHEMBL12612549

C=CC[C@@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.46
▸ GJB2 P29033 2/20 0.45
▸ SSTR1 P30872 1/20 0.44
▸ SSTR2 P30874 1/20 0.44
▸ SSTR4 P31391 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ SSTR5 P35346 1/20 0.44
▸ NT5E P21589 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ BCHE P06276 3/20 0.41
▸ TACR2 P21452 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ PTPN1 P18031 4/20 0.41
▸ CDC25B P30305 4/20 0.41
▸ PTPN2 P17706 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ PTPN11 Q06124 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
SCHEMBL14001401 1.00 HTR1A (0.46) HTR1AGJB2SSTR1SSTR2SSTR4
SCHEMBL8733842 0.90 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL1033002 0.90 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL16632221 0.90 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL13164470 0.90 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL16229071 0.90 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL1033003 0.90 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL16632218 0.90 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL21013401 0.90 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL26989684 0.89 GJB2 (0.47) HTR1AGJB2SSTR4SSTR5NT5E

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-7951905-B2 Synthesis of carbohydrate-templated amino acids and methods of using same UNIVERSITY OF MANITOBA (CA) 2011-05-31 — — US disclosed
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