SCHEMBL8790682

SCHEMBL8790682

S[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
NT5E P21589 1/20 0.48
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
TACR2 P21452 2/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
PTPN1 P18031 6/20 0.43
CDC25B P30305 6/20 0.43
PTPN2 P17706 2/20 0.43
PTPN6 P29350 2/20 0.43
PTPN11 Q06124 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GJB2 P29033 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
SCHEMBL8790678 1.00 HTR1A (0.52) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL5688896 0.92 HTR1A (0.47) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL6767602 0.92 TACR2 (0.48) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL6763788 0.92 SSTR1 (0.52) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL5688919 0.89 HTR1A (0.47) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL5688879 0.89 HTR1A (0.44) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL5036169 0.89 HTR1A (0.48) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL6952287 0.89 GJB2 (0.48) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL8907921 0.86 SSTR1 (0.47) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL15869500 0.86 HTR1A (0.43) HTR1ANT5ESSTR1SSTR2SSTR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788506-A2 L-RIBOFURANOSYL NUCLEOSIDES GENENCOR INTERNATIONAL, INC. (US) 1997-08-13 EP disclosed
US-5559101-A ANTITUMOR, ANTICARCINOGENIC, HIV GENENCOR INTERNATIONAL, INC. (US) 1996-09-24 US disclosed
WO-1996013512-A2 L-RIBOFURANOSYL NUCLEOSIDES GENENCOR INTERNATIONAL, INC. (US) 1996-05-09 WO disclosed