SCHEMBL18653423

SCHEMBL18653423

CCCCOCC1O[C@@H](OCCCC)C(OCCCC)C(O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 4/20 0.50
▸ GBA1 P04062 3/20 0.45
▸ MAPK1 P28482 1/20 0.40
▸ IGF2R P11717 4/20 0.40
▸ TNF P01375 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LGALS8 O00214 1/20 0.36
▸ LGALS3 P17931 1/20 0.36
▸ LGALS4 P56470 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
SCHEMBL18653473 1.00 GJB2 (0.50) GJB2GBA1MAPK1IGF2RTNF
SCHEMBL8686677 0.96 GBA1 (0.53) GJB2GBA1MAPK1IGF2RTNF
SCHEMBL8691523 0.96 GBA1 (0.53) GJB2GBA1MAPK1IGF2RTNF
SCHEMBL8686418 0.96 GBA1 (0.53) GJB2GBA1MAPK1IGF2RTNF
SCHEMBL8686417 0.96 GBA1 (0.53) GJB2GBA1MAPK1IGF2RTNF
SCHEMBL28296339 0.92 GBA1 (0.51) GJB2GBA1MAPK1IGF2RTNF
SCHEMBL18412556 0.91 GJB2 (0.48) GJB2GBA1MAPK1IGF2RTNF
SCHEMBL13760997 0.91 GJB2 (0.47) GJB2GBA1MAPK1IGF2RTNF
SCHEMBL19682306 0.89 GJB2 (0.49) GJB2GBA1MAPK1IGF2RTNF
SCHEMBL16381103 0.87 GJB2 (0.56) GJB2GBA1MAPK1TNF

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-2017046172-A1 CARBOHYDRATE LIGANDS THAT BIND TO ANTIBODIES AGAINST GLYCOEPITOPES OF GLYCOSPHINGOLIPIDS UNIVERSITÄT BASEL (CH) 2017-03-23 — — WO disclosed
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