SCHEMBL4633458

SCHEMBL4633458

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.46
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 4/20 0.40
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
VCAM1 P19320 4/20 0.40
KMT2A Q03164 4/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39

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
Dimethylamine SCHEMBL1275473 0.96 HSPA5 (0.47) HSPA5ALDH1A1CYP1A2GLRA3GLRB
SCHEMBL1275783 0.92 ALDH1A1 (0.41) HSPA5ALDH1A1CYP1A2GLRA3GLRB
SCHEMBL1275785 0.92 ALDH1A1 (0.41) HSPA5ALDH1A1CYP1A2GLRA3GLRB
SCHEMBL1275472 0.91 HSPA5 (0.40) HSPA5ALDH1A1CYP1A2GLRA3GLRB
SCHEMBL2799508 0.91 ALDH1A1 (0.46) ALDH1A1CYP1A2GLRA3GLRBVCAM1
SCHEMBL1275191 0.88 HSPA5 (0.46) HSPA5ALDH1A1CYP1A2GLRA3GLRB
SCHEMBL1275438 0.86 HSPA5 (0.39) HSPA5ALDH1A1CYP1A2EGFRERBB2
SCHEMBL1274606 0.86 HSPA5 (0.39) HSPA5ALDH1A1CYP1A2EGFRERBB2
SCHEMBL5872997 0.86 CYP2C19 (0.46) HSPA5ALDH1A1CYP1A2GLRA3GLRB
SCHEMBL1275788 0.86 HSPA5 (0.44) HSPA5ALDH1A1CYP1A2VCAM1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249845-B1 Stabilized medium and high voltage cable insulation composition BASF SE (DE) 2012-07-11 EP 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-7056967-B2 Stabilized medium and high voltage cable insulation composition CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-06 US disclosed
US-20020198344-A1 Stabilized medium and high voltage cable insulation composition CIBA SPECIALTY CHEMICALS CORP. 2002-12-26 US disclosed
EP-1249845-A2 Stabilized medium and high voltage cable insulation composition Ciba SC Holding AG (CH) 2002-10-16 EP disclosed
EP-0165209-B1 O,P-BIFUNCTIONALISED, O'-SUBSTITUTED PHENOLS CIBA-GEIGY AG (CH) 1989-07-19 EP disclosed
US-4759862-A O,p-bifunctionalized o'-substituted phenols CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
EP-0165209-A2 o,p-Bifunctionalised, o'-substituted phenols CIBA-GEIGY AG (CH) 1985-12-18 EP disclosed