SCHEMBL8625319

SCHEMBL8625319

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 1/20 0.41
GJA1 P17302 1/20 0.41
SSTR4 P31391 5/20 0.37
SSTR1 P30872 2/20 0.37
SSTR2 P30874 2/20 0.37
SSTR3 P32745 2/20 0.37
SSTR5 P35346 2/20 0.37
PTPN1 P18031 7/20 0.36
PTPN2 P17706 2/20 0.36
TACR2 P21452 1/20 0.35
CDC25B P30305 4/20 0.35
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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 0.94 GJB2 (0.43) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8628196 0.94 GJB2 (0.43) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8630331 0.86 GJB2 (0.45) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL15377840 0.86 GJB2 (0.41) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8625721 0.85 GJB2 (0.37) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8907486 0.84 GJB2 (0.47) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8625285 0.83 GJB2 (0.37) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL26443913 0.83 GJB2 (0.40) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL247787 0.82 GJB2 (0.44) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8630101 0.82 PTPN1 (0.37) GJB2GJA1SSTR4PTPN1PTPN2

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