SCHEMBL14437358

SCHEMBL14437358

CCCCOC1OC(CO)C2OC(C)(OC)C(C)(OC)OC2C1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
LGALS8 O00214 1/20 0.35
LGALS3 P17931 1/20 0.35
LGALS4 P56470 1/20 0.35
GSTA2 P09210 2/20 0.34
GSTP1 P09211 2/20 0.34
GSTM1 P09488 1/20 0.34
CETP P11597 1/20 0.33
GJB2 P29033 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32

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
SCHEMBL14413973 1.00 MAPK1 (0.41) MAPK1TXNRD1TXNRD3TXNRD2LGALS8
SCHEMBL14413975 0.90 MAPK1 (0.44) MAPK1TXNRD1TXNRD3TXNRD2LGALS8
SCHEMBL14413976 0.90 MAPK1 (0.44) MAPK1TXNRD1TXNRD3TXNRD2LGALS8
SCHEMBL28296334 0.83 MAPK1 (0.50) MAPK1LGALS8LGALS3LGALS4CETP
SCHEMBL28294670 0.83 MAPK1 (0.50) MAPK1LGALS8LGALS3LGALS4CETP
SCHEMBL19658824 0.80 LGALS3 (0.52) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL13775014 0.76 GSTP1 (0.44) LGALS8GSTA2GSTP1GSTM1
SCHEMBL4173508 0.76 GSTP1 (0.44) LGALS8GSTA2GSTP1GSTM1
SCHEMBL5026166 0.76 GSTP1 (0.44) LGALS8GSTA2GSTP1GSTM1
SCHEMBL14747391 0.76 GSTP1 (0.44) LGALS8GSTA2GSTP1GSTM1

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-2007091040-A2 THE PREPARATION OF THIOSUGARS AND THEIR USE GLYCOFORM LIMITED (GB) 2007-08-16 WO disclosed