SCHEMBL9727220

SCHEMBL9727220

OC[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 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.47
CDC25B P30305 8/20 0.47
GJB2 P29033 2/20 0.46
PTPN2 P17706 5/20 0.46
PTPN11 Q06124 5/20 0.46
PTPN6 P29350 4/20 0.45
NT5E P21589 1/20 0.45
SLC6A2 P23975 2/20 0.44
SSTR1 P30872 1/20 0.44
SSTR2 P30874 1/20 0.44
SSTR4 P31391 1/20 0.44
SSTR3 P32745 1/20 0.44
SSTR5 P35346 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
SCHEMBL9727225 1.00 PTPN1 (0.47) PTPN1CDC25BGJB2PTPN2PTPN11
SCHEMBL9727010 0.92 PTPN1 (0.52) PTPN1CDC25BGJB2PTPN2PTPN11
SCHEMBL9727015 0.92 PTPN1 (0.52) PTPN1CDC25BGJB2PTPN2PTPN11
SCHEMBL1776650 0.91 PTPN1 (0.52) PTPN1CDC25BGJB2PTPN2PTPN11
SCHEMBL1776647 0.91 PTPN1 (0.52) PTPN1CDC25BGJB2PTPN2PTPN11
SCHEMBL8992053 0.90 PDE4D (0.46) PTPN1CDC25BGJB2PTPN2PTPN11
SCHEMBL8992043 0.90 PDE4D (0.46) PTPN1CDC25BGJB2PTPN2PTPN11
SCHEMBL8992062 0.89 SSTR1 (0.56) PTPN1CDC25BGJB2PTPN2PTPN11
SCHEMBL8992067 0.89 SSTR1 (0.56) PTPN1CDC25BGJB2PTPN2PTPN11
SCHEMBL9727043 0.88 GJB2 (0.51) PTPN1CDC25BGJB2PTPN2PTPN11

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