SCHEMBL12468845

SCHEMBL12468845

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.44
PTPN2 P17706 2/20 0.43
PTPN6 P29350 2/20 0.43
PTPN11 Q06124 2/20 0.43
LGALS3 P17931 3/20 0.42
LGALS9 O00182 2/20 0.42
LGALS1 P09382 2/20 0.42
LGALS7; LGALS7B P47929 2/20 0.42
LGALS4 P56470 1/20 0.42
SSTR1 P30872 1/20 0.41
SSTR2 P30874 1/20 0.41
SSTR4 P31391 1/20 0.41
SSTR3 P32745 1/20 0.41
SSTR5 P35346 1/20 0.41
MAOB P27338 1/20 0.39
LGALS8 O00214 1/20 0.38
SELP P16109 2/20 0.38
TNF P01375 1/20 0.37

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
SCHEMBL19682235 0.90 PTPN1 (0.51) PTPN1PTPN2PTPN6PTPN11LGALS3
SCHEMBL17087680 0.90 SSTR1 (0.45) PTPN1PTPN2PTPN6PTPN11LGALS3
SCHEMBL14440518 0.87 SSTR1 (0.51) PTPN1PTPN2PTPN6PTPN11LGALS3
SCHEMBL13415641 0.87 PTPN1 (0.44) PTPN1PTPN2PTPN6PTPN11LGALS3
SCHEMBL17471464 0.85 PTPN1 (0.44) PTPN1PTPN2PTPN6PTPN11LGALS3
SCHEMBL8658236 0.84 LGALS3 (0.46) PTPN1LGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL19276735 0.84 SSTR1 (0.48) PTPN1PTPN2PTPN6PTPN11LGALS3
SCHEMBL19276742 0.84 SSTR1 (0.48) PTPN1PTPN2PTPN6PTPN11LGALS3
SCHEMBL12468761 0.83 LGALS3 (0.50) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL18653418 0.83 GJB2 (0.42) PTPN1PTPN2PTPN6PTPN11LGALS3

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-7985856-B2 Method for preparing hexose derivatives NATIONAL TSING HUA UNIVERSITY (TW) 2011-07-26 US disclosed
US-20090105466-A1 METHOD FOR PREPARING HEXOSE DERIVATIVES NATIONAL TSING HUA UNIVERSITY (TW) 2009-04-23 US disclosed