SCHEMBL9727043

SCHEMBL9727043

O[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H](O)O[C@@H]2COCc2ccccc2)O[C@@H]1COCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 3/20 0.51
PTPN1 P18031 8/20 0.48
PTPN2 P17706 3/20 0.48
PTPN11 Q06124 3/20 0.48
NT5E P21589 1/20 0.47
SLC6A2 P23975 2/20 0.46
SSTR1 P30872 1/20 0.46
SSTR2 P30874 1/20 0.46
SSTR4 P31391 1/20 0.46
SSTR3 P32745 1/20 0.46
SSTR5 P35346 1/20 0.46
CDC25B P30305 6/20 0.45
PTPN6 P29350 2/20 0.45
GJA1 P17302 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
SCHEMBL9727044 1.00 GJB2 (0.51) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL1776650 0.94 PTPN1 (0.52) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL1776647 0.94 PTPN1 (0.52) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL9727114 0.91 SSTR1 (0.51) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL9727120 0.91 SSTR1 (0.51) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL10607794 0.90 SSTR1 (0.58) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL8992046 0.90 SSTR1 (0.58) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL8992050 0.90 SSTR1 (0.58) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL7753913 0.89 SLC6A2 (0.52) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL22710060 0.89 GJB2 (0.46) GJB2PTPN1NT5ESLC6A2SSTR1

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