SCHEMBL20404663

SCHEMBL20404663

CC1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
SSTR1 P30872 1/20 0.50
SSTR2 P30874 1/20 0.50
SSTR4 P31391 1/20 0.50
SSTR3 P32745 1/20 0.50
SSTR5 P35346 1/20 0.50
TACR2 P21452 3/20 0.48
NT5E P21589 1/20 0.48
GJB2 P29033 1/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
PTPN1 P18031 6/20 0.45
CDC25B P30305 6/20 0.45
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

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
SCHEMBL23744216 1.00 HTR1A (0.52) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL1262772 1.00 HTR1A (0.52) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL21283070 1.00 HTR1A (0.52) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL18896703 1.00 HTR1A (0.52) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL20010200 1.00 HTR1A (0.52) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL24378351 0.98 SSTR1 (0.52) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL25480956 0.98 SSTR1 (0.52) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL21172812 0.98 SSTR1 (0.52) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL2695322 0.98 SSTR1 (0.52) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL24378346 0.98 SSTR1 (0.52) 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
EP-2854813-B1 PYRAZOLOTRIAZOLYL NUCLEOSIDE ANALOGUES AND OLIGONUCLEOTIDES COMPRISING THEM BIO LAB LTD (IL) 2018-07-25 EP disclosed