SCHEMBL8907490

SCHEMBL8907490

CCO[C@@H]1[C@@H](OCc2ccc(OC)cc2)[C@H](S)O[C@H](COCc2ccc(OC)cc2)[C@@H]1OCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 2/20 0.43
GJA1 P17302 1/20 0.43
SSTR1 P30872 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR4 P31391 1/20 0.38
SSTR3 P32745 1/20 0.38
SSTR5 P35346 1/20 0.38
TACR2 P21452 2/20 0.38
APP P05067 3/20 0.37
HTR1A P08908 1/20 0.35
PTPN1 P18031 4/20 0.35
PTPN2 P17706 2/20 0.35
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.34
CDC25B P30305 2/20 0.34
NT5E P21589 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
SCHEMBL8630332 1.00 GJB2 (0.43) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL8625289 0.95 GJB2 (0.39) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL6767602 0.86 TACR2 (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL6952287 0.83 GJB2 (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL8013222 0.83 GJB2 (0.41) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL14747303 0.82 GJB2 (0.47) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL8336999 0.82 SSTR1 (0.41) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8907921 0.81 SSTR1 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL26443901 0.80 GJB2 (0.50) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL8626765 0.80 GJB2 (0.44) GJB2GJA1SSTR1SSTR2SSTR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686426-A Dicarboxymethylated glycolipid derivatives as cell adhesion inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1997-11-11 US disclosed
EP-0719787-A1 Dicarboxymethylated glycolipid derivatives as cell adhesion inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-07-03 EP disclosed