SCHEMBL8271920

SCHEMBL8271920

CCCCOCC1O[C@H](O)C(OC(=O)c2ccccc2)C(OCCCC)[C@@H]1OCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 1/20 0.41
LGALS1 P09382 1/20 0.41
LGALS3 P17931 1/20 0.41
LGALS7; LGALS7B P47929 1/20 0.41
NT5E P21589 1/20 0.40
TNF P01375 1/20 0.39
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.38
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ABCB1 P08183 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL16383651 0.89 MEN1 (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BTNF
SCHEMBL14391527 0.88 NT5E (0.39) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL15975926 0.88 NT5E (0.40) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL14440518 0.87 SSTR1 (0.51) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL16326716 0.85 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL8271047 0.85 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL8271922 0.85 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL16378347 0.85 LMNA (0.47) TNFLMNATSHRTDP1L3MBTL1
SCHEMBL16770596 0.85 LMNA (0.47) TNFLMNATSHRTDP1L3MBTL1
SCHEMBL18653418 0.85 GJB2 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E

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
WO-2006017180-A2 GLYCOPEPTIDE DIMERS AND USES THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2006-02-16 WO disclosed