SCHEMBL1275438

SCHEMBL1275438

CC(C)(C)c1cc(CSCC(=O)O)cc(CSCC(=O)O)c1O.CCCCCCNCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.39
GAA P10253 3/20 0.38
KMT2A Q03164 2/20 0.38
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GSR P00390 2/20 0.34
VCAM1 P19320 2/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR2 O95136 1/20 0.33
ALDH1A1 P00352 2/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL1274606 1.00 HSPA5 (0.39) HSPA5GAAKMT2ANR5A2NR5A1
SCHEMBL4633458 0.86 HSPA5 (0.46) HSPA5GAAKMT2AMAPTBLM
Dimethylamine SCHEMBL1275473 0.85 HSPA5 (0.47) HSPA5GAAKMT2AMAPTBLM
SCHEMBL1275436 0.84 HSPA5 (0.36) HSPA5GAAKMT2AMAPTBLM
SCHEMBL1274604 0.84 HSPA5 (0.36) HSPA5GAAKMT2AMAPTBLM
SCHEMBL1275785 0.84 ALDH1A1 (0.41) HSPA5GAAKMT2AMAPTBLM
SCHEMBL1275783 0.84 ALDH1A1 (0.41) HSPA5GAAKMT2AMAPTBLM
SCHEMBL1275483 0.82 HSPA5 (0.40) HSPA5CYP2C9CYP1A2
SCHEMBL1274842 0.82 HSPA5 (0.40) HSPA5CYP2C9CYP1A2
SCHEMBL1274866 0.80 HSPA5 (0.42) HSPA5GAAKMT2ANR5A2NR5A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848768-B1 CROSS-LINKED POLYETHYLENE HAVING EXCELLENT INHIBITION OF SWEAT-OUT AND INSULATION PROPERTIES LG CHEMICAL LTD (KR) 2011-02-09 EP disclosed
US-7452933-B2 Cross-linked polyethylene having excellent inhibition of sweat-out and insulation properties LG CHEM, LTD. (KR) 2008-11-18 US disclosed
EP-1848768-A4 CROSS-LINKED POLYETHYLENE HAVING EXCELLENT INHIBITION OF SWEAT-OUT AND INSULATION PROPERTIES LG CHEMICAL LTD (KR) 2008-06-11 EP disclosed
EP-1848768-A1 CROSS-LINKED POLYETHYLENE HAVING EXCELLENT INHIBITION OF SWEAT-OUT AND INSULATION PROPERTIES LG Chem, Ltd. (KR) 2007-10-31 EP disclosed
WO-2007097511-A1 CROSS-LINKED POLYETHYLENE HAVING EXCELLENT INHIBITION OF SWEAT-OUT AND INSULATION PROPERTIES LG CHEM, LTD. (KR) 2007-08-30 WO disclosed
US-20070203278-A1 CROSS-LINKED POLYETHYLENE HAVING EXCELLENT INHIBITION OF SWEAT-OUT AND INSULATION PROPERTIES LG CHEM, LTD. (KR) 2007-08-30 US disclosed