SCHEMBL8733842

SCHEMBL8733842

C=CCC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.49
▸ SSTR1 P30872 1/20 0.47
▸ SSTR2 P30874 1/20 0.47
▸ SSTR4 P31391 1/20 0.47
▸ SSTR3 P32745 1/20 0.47
▸ SSTR5 P35346 1/20 0.47
▸ NT5E P21589 1/20 0.46
▸ BCHE P06276 3/20 0.44
▸ ACHE P22303 2/20 0.44
▸ PTPN1 P18031 7/20 0.44
▸ CDC25B P30305 6/20 0.44
▸ PTPN2 P17706 3/20 0.44
▸ PTPN11 Q06124 3/20 0.44
▸ PTPN6 P29350 2/20 0.44
▸ TACR2 P21452 2/20 0.43

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
SCHEMBL16229071 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL13164470 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL21013401 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL1033003 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL16632218 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL1033002 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL16632221 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL24119107 0.91 BCHE (0.50) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL14001401 0.90 HTR1A (0.46) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL12612549 0.90 HTR1A (0.46) HTR1ASSTR1SSTR2SSTR4SSTR3

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-5783568-A ADMINISTERING ALKAINE EARTH OR ALKALI METAL SALTS OF SUCROSEOCTASULFATE SUGEN, INC. (US) 1998-07-21 — — US disclosed
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