SCHEMBL8625285

SCHEMBL8625285

CCS[C@@H]1O[C@H](COCc2ccc(OC)cc2)[C@H](OCC(=O)OC(C)(C)C)[C@H](OCc2ccc(OC)cc2)[C@H]1OCc1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 1/20 0.37
GJA1 P17302 1/20 0.37
PTPN1 P18031 8/20 0.37
PTPN2 P17706 6/20 0.37
CDC25B P30305 5/20 0.37
CDC25A P30304 3/20 0.37
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
TACR2 P21452 1/20 0.35
NT5E P21589 1/20 0.34
SSTR4 P31391 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SSTR1 P30872 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR3 P32745 1/20 0.33
SSTR5 P35346 1/20 0.33

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
SCHEMBL26443909 0.87 GJB2 (0.43) GJB2GJA1PTPN1PTPN2CDC25B
SCHEMBL8628196 0.87 GJB2 (0.43) GJB2GJA1PTPN1PTPN2CDC25B
SCHEMBL8630101 0.86 PTPN1 (0.37) GJB2GJA1PTPN1PTPN2CDC25B
SCHEMBL8625319 0.83 GJB2 (0.41) GJB2GJA1PTPN1PTPN2CDC25B
SCHEMBL8624561 0.82 MEN1 (0.33) GJB2GJA1SSTR4
SCHEMBL8630331 0.80 GJB2 (0.45) GJB2GJA1TACR2SSTR4SSTR1
SCHEMBL15377840 0.80 GJB2 (0.41) GJB2GJA1PTPN1PTPN2CDC25B
SCHEMBL8625721 0.79 GJB2 (0.37) GJB2GJA1PTPN1PTPN2CDC25B
SCHEMBL8907486 0.78 GJB2 (0.47) GJB2GJA1TACR2SSTR4SSTR1
SCHEMBL9101113 0.77 SSTR4 (0.40) GJB2GJA1PTPN1PTPN2CDC25B

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-5747463-A SELECTIN ANTAGONISTS; ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 US disclosed