SCHEMBL1275481

SCHEMBL1275481

CN(C)C(=O)CCSCc1cc(CSCCC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
HSPA5 P11021 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
VCAM1 P19320 4/20 0.36
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
HIF1A Q16665 2/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 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
SCHEMBL5872997 0.92 CYP2C19 (0.46) CYP2C19HSPA5HPGDGAAALDH1A1
Dimethylamine SCHEMBL1275482 0.88 HSPA5 (0.44) CYP2C19HSPA5HPGDGAAALDH1A1
SCHEMBL9507235 0.84 CYP2C19 (0.51) CYP2C19HPGDGAAALDH1A1TSHR
SCHEMBL1275472 0.83 HSPA5 (0.40) HSPA5HPGDGAAALDH1A1TSHR
SCHEMBL4633458 0.79 HSPA5 (0.46) CYP2C19HSPA5GAAALDH1A1TSHR
SCHEMBL10692300 0.78 CYP2C19 (0.58) CYP2C19HPGDALDH1A1TSHRLMNA
SCHEMBL1275492 0.76 HSPA5 (0.57) CYP2C19HSPA5HPGDGAAALDH1A1
SCHEMBL1275496 0.76 HSPA5 (0.49) CYP2C19HSPA5HPGDGAAALDH1A1
Dimethylamine SCHEMBL1275473 0.75 HSPA5 (0.47) CYP2C19HSPA5GAAALDH1A1TSHR
SCHEMBL1275798 0.74 HSPA5 (0.47) CYP2C19HSPA5HPGDGAAALDH1A1

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