SCHEMBL8907208

SCHEMBL8907208

CCS[C@@H]1O[C@H](COCc2ccc(OC)cc2)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 1/20 0.37
GJA1 P17302 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SSTR4 P31391 5/20 0.33
SSTR1 P30872 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR3 P32745 1/20 0.33
SSTR5 P35346 1/20 0.33
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR1A P08908 1/20 0.30
REN P00797 2/20 0.30

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
SCHEMBL8627802 0.91 MEN1 (0.40) GJB2GJA1MEN1KMT2ASSTR4
SCHEMBL8626852 0.89 MEN1 (0.41) MEN1KMT2AGLANPSR1
SCHEMBL8628754 0.87 MEN1 (0.34) GJB2GJA1MEN1KMT2A
SCHEMBL8627578 0.87 MEN1 (0.34) MEN1KMT2A
SCHEMBL8624561 0.86 MEN1 (0.33) GJB2GJA1MEN1KMT2ASSTR4
SCHEMBL8015808 0.85 GJB2 (0.36) GJB2GJA1MEN1KMT2ASSTR4
SCHEMBL8628196 0.84 GJB2 (0.43) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL26443909 0.84 GJB2 (0.43) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8627917 0.83 MEN1 (0.36) MEN1KMT2A
SCHEMBL26443913 0.82 GJB2 (0.40) GJB2GJA1SSTR4SSTR1SSTR2

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