SCHEMBL8015808

SCHEMBL8015808

COc1ccc(COC[C@H]2O[C@@H](Sc3ccccc3)[C@H](OCc3ccc(OC)cc3)[C@H]3OC(C)(C)O[C@H]32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 2/20 0.36
GJA1 P17302 1/20 0.36
SSTR4 P31391 5/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SSTR1 P30872 2/20 0.34
SSTR2 P30874 2/20 0.34
SSTR3 P32745 2/20 0.34
SSTR5 P35346 2/20 0.34
HTR1A P08908 1/20 0.34
TACR1 P25103 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
TACR2 P21452 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
SCHEMBL7458038 0.86 TACR1 (0.36) MEN1KMT2ATACR1TDP1L3MBTL1
SCHEMBL8011485 0.85 MEN1 (0.36) GJB2GJA1MEN1KMT2A
SCHEMBL8907208 0.85 GJB2 (0.37) GJB2GJA1SSTR4MEN1KMT2A
SCHEMBL7999781 0.85 GJB2 (0.38) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL5941739 0.84 SSTR4 (0.44) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8002967 0.82 GJB2 (0.45) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL11886555 0.81 SSTR1 (0.40) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8014375 0.81 GJB2 (0.36) GJB2GJA1SSTR4MEN1KMT2A
SCHEMBL8014339 0.80 MEN1 (0.33) MEN1KMT2A
SCHEMBL8627802 0.77 MEN1 (0.40) GJB2GJA1SSTR4MEN1KMT2A

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-6040433-A Sulfinyl hexose derivatives useful for glycosylation THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-03-21 US disclosed