SCHEMBL9727114

SCHEMBL9727114

O[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC[C@H]2O[C@H](O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@@H]1COCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 2/20 0.51
SSTR2 P30874 2/20 0.51
SSTR4 P31391 2/20 0.51
SSTR3 P32745 2/20 0.51
SSTR5 P35346 2/20 0.51
PTPN1 P18031 9/20 0.49
CDC25B P30305 8/20 0.49
PTPN2 P17706 5/20 0.49
PTPN11 Q06124 5/20 0.49
PTPN6 P29350 4/20 0.49
NT5E P21589 1/20 0.49
GJB2 P29033 1/20 0.46
HTR1A P08908 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ADRB2 P07550 1/20 0.44
TACR1 P25103 1/20 0.44

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
SCHEMBL9727120 1.00 SSTR1 (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL4761024 0.95 SSTR1 (0.55) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL4761028 0.95 SSTR1 (0.55) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8052999 0.93 SSTR1 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8052996 0.93 SSTR1 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9727044 0.91 GJB2 (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9727043 0.91 GJB2 (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL22927969 0.91 SSTR1 (0.62) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8992048 0.91 SSTR1 (0.62) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8992045 0.91 SSTR1 (0.62) SSTR1SSTR2SSTR4SSTR3SSTR5

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-5157116-A Antidiabetic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-20 US disclosed