SCHEMBL9727015

SCHEMBL9727015

OC[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 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.52
CDC25B P30305 8/20 0.52
PTPN2 P17706 6/20 0.49
PTPN11 Q06124 5/20 0.49
PTPN6 P29350 4/20 0.49
SSTR1 P30872 1/20 0.48
SSTR2 P30874 1/20 0.48
SSTR4 P31391 1/20 0.48
SSTR3 P32745 1/20 0.48
SSTR5 P35346 1/20 0.48
NT5E P21589 1/20 0.47
HTR1A P08908 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GJB2 P29033 1/20 0.42

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
SCHEMBL9727010 1.00 PTPN1 (0.52) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL4761028 0.92 SSTR1 (0.55) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL4761024 0.92 SSTR1 (0.55) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL9727220 0.92 PTPN1 (0.47) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL9727225 0.92 PTPN1 (0.47) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL8992144 0.90 SSTR1 (0.60) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL8992149 0.90 SSTR1 (0.60) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL8992053 0.90 PDE4D (0.46) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL8992043 0.90 PDE4D (0.46) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL9727120 0.88 SSTR1 (0.51) PTPN1CDC25BPTPN2PTPN11PTPN6

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