SCHEMBL18653418

SCHEMBL18653418

CCCCOCC1O[C@@H](OCCCC)C(OCCCC)C(O)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 4/20 0.42
LGALS9 O00182 1/20 0.42
LGALS1 P09382 1/20 0.42
LGALS3 P17931 1/20 0.42
LGALS7; LGALS7B P47929 1/20 0.42
MAOB P27338 1/20 0.41
NT5E P21589 1/20 0.41
PTPN1 P18031 10/20 0.39
PTPN2 P17706 2/20 0.38
PTPN6 P29350 2/20 0.38
PTPN11 Q06124 2/20 0.38
SSTR1 P30872 1/20 0.37
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
SSTR3 P32745 1/20 0.37
SSTR5 P35346 1/20 0.37
TACR1 P25103 1/20 0.37
LMNA P02545 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
SCHEMBL17087680 0.94 SSTR1 (0.45) GJB2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL16258118 0.89 GJB2 (0.40) GJB2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL8577949 0.87 PTPN1 (0.47) GJB2NT5EPTPN1PTPN2PTPN6
SCHEMBL8573455 0.87 PTPN1 (0.47) GJB2NT5EPTPN1PTPN2PTPN6
SCHEMBL8576622 0.87 PTPN1 (0.47) GJB2NT5EPTPN1PTPN2PTPN6
SCHEMBL14440518 0.85 SSTR1 (0.51) GJB2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL8271920 0.85 LGALS9 (0.41) GJB2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL19682235 0.84 PTPN1 (0.51) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL14413572 0.84 PTPN1 (0.51) PTPN1PTPN2PTPN11LMNA
SCHEMBL12468845 0.83 PTPN1 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB

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