SCHEMBL8401405

SCHEMBL8401405

COc1ccc(CO[C@@H]2[C@H](OCc3ccccc3)[C@H](C)OC(OC)[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.48
SSTR2 P30874 1/20 0.48
SSTR4 P31391 1/20 0.48
SSTR3 P32745 1/20 0.48
SSTR5 P35346 1/20 0.48
BCHE P06276 2/20 0.46
LTA4H P09960 1/20 0.44
TACR1 P25103 1/20 0.42
PTPN2 P17706 3/20 0.41
PTPN1 P18031 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ABCB1 P08183 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL25362771 0.92 SSTR1 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL26836008 0.92 SSTR1 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18573699 0.92 SSTR1 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7152150 0.92 SSTR1 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL20107395 0.92 SSTR1 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6878426 0.90 SSTR1 (0.52) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6878433 0.90 SSTR1 (0.52) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8401248 0.88 SSTR1 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL30761023 0.84 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6951104 0.84 SSTR5 (0.56) SSTR1SSTR2SSTR4SSTR3SSTR5

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-5874411-A ANTIINFLAMMATORY GLYCOMED INCORPORATED (US) 1999-02-23 US disclosed