SCHEMBL8626765

SCHEMBL8626765

CCOC[C@H]1O[C@@H](S)[C@H](OCc2ccc(OC)cc2)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 2/20 0.44
GJA1 P17302 2/20 0.44
SLC5A2 P31639 8/20 0.37
SLC5A1 P13866 5/20 0.37
SSTR5 P35346 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TACR2 P21452 1/20 0.34
SSTR1 P30872 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
SSTR3 P32745 1/20 0.34

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
SCHEMBL8625289 0.85 GJB2 (0.39) GJB2GJA1SSTR5TACR2SSTR1
SCHEMBL7997395 0.81 LTA4H (0.39) GJB2GJA1SLC5A2SLC5A1SSTR5
SCHEMBL8006235 0.80 SLC5A1 (0.42) GJB2GJA1SLC5A2SLC5A1NPC1
SCHEMBL8008165 0.80 SLC5A1 (0.42) GJB2GJA1SLC5A2SLC5A1NPC1
SCHEMBL8006236 0.80 SLC5A1 (0.42) GJB2GJA1SLC5A2SLC5A1NPC1
SCHEMBL8907490 0.80 GJB2 (0.43) GJB2GJA1SSTR5TACR2SSTR1
SCHEMBL8630332 0.80 GJB2 (0.43) GJB2GJA1SSTR5TACR2SSTR1
SCHEMBL28624520 0.80 TACR2 (0.44) GJB2SSTR5TACR2SSTR1SSTR2
SCHEMBL5689675 0.78 SSTR5 (0.41) GJB2GJA1SLC5A2SLC5A1SSTR5
SCHEMBL8907486 0.77 GJB2 (0.47) GJB2GJA1SLC5A2SLC5A1SSTR5

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 3 patents. 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
US-5663151-A ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-02 US disclosed
EP-0671407-A2 Sulfated alpha-glycolipid derivatives as cell adhesion inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-09-13 EP disclosed