SCHEMBL8708672

SCHEMBL8708672

C=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)[C@H]1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 2/20 0.52
NT5E P21589 1/20 0.45
GJA1 P17302 1/20 0.44
SLC6A2 P23975 2/20 0.44
TACR2 P21452 1/20 0.44
PTPN1 P18031 6/20 0.43
CDC25B P30305 6/20 0.43
PTPN2 P17706 2/20 0.43
PTPN6 P29350 2/20 0.43
PTPN11 Q06124 2/20 0.43
HTR1A P08908 1/20 0.43
SSTR1 P30872 1/20 0.42
SSTR2 P30874 1/20 0.42
SSTR4 P31391 1/20 0.42
SSTR3 P32745 1/20 0.42
SSTR5 P35346 1/20 0.42

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
SCHEMBL7155844 0.93 GJB2 (0.52) GJB2NT5EGJA1SLC6A2TACR2
SCHEMBL4421768 0.91 NT5E (0.48) GJB2NT5ESLC6A2TACR2PTPN1
SCHEMBL7567428 0.91 SLC6A2 (0.47) GJB2NT5ESLC6A2PTPN1CDC25B
SCHEMBL27828449 0.91 NT5E (0.48) GJB2NT5ESLC6A2TACR2PTPN1
SCHEMBL7567425 0.91 SLC6A2 (0.47) GJB2NT5ESLC6A2PTPN1CDC25B
SCHEMBL20139723 0.91 SLC6A2 (0.47) GJB2NT5ESLC6A2PTPN1CDC25B
SCHEMBL2589252 0.91 NT5E (0.48) GJB2NT5ESLC6A2TACR2PTPN1
SCHEMBL19731779 0.91 NT5E (0.48) GJB2NT5ESLC6A2TACR2PTPN1
SCHEMBL22683015 0.91 SLC6A2 (0.47) GJB2NT5ESLC6A2PTPN1CDC25B
SCHEMBL6265877 0.89 SSTR1 (0.52) NT5EPTPN1CDC25BPTPN2PTPN6

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-5753631-A Intercellular adhesion mediators CYTEL CORPORATION (US) 1998-05-19 US disclosed
US-5576305-A Intercellular adhesion mediators CYTEL CORPORATION (US) 1996-11-19 US disclosed