SCHEMBL5872997

SCHEMBL5872997

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.46
HSPA5 P11021 2/20 0.44
HPGD P15428 1/20 0.43
VCAM1 P19320 4/20 0.41
GAA P10253 4/20 0.40
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
BLM P54132 2/20 0.37
ATM Q13315 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
CYP2D6 P10635 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
Dimethylamine SCHEMBL1275482 0.96 HSPA5 (0.44) CYP2C19HSPA5HPGDVCAM1GAA
SCHEMBL1275481 0.92 CYP2C19 (0.40) CYP2C19HSPA5HPGDVCAM1GAA
SCHEMBL9507235 0.91 CYP2C19 (0.51) CYP2C19HPGDVCAM1GAAGLRA3
SCHEMBL4633458 0.86 HSPA5 (0.46) CYP2C19HSPA5VCAM1GAAGLRA3
SCHEMBL10692300 0.85 CYP2C19 (0.58) CYP2C19HPGDKMT2AALDH1A1TSHR
SCHEMBL1275492 0.82 HSPA5 (0.57) CYP2C19HSPA5HPGDGAAKMT2A
SCHEMBL1275496 0.82 HSPA5 (0.49) CYP2C19HSPA5HPGDGAAKMT2A
Dimethylamine SCHEMBL1275473 0.82 HSPA5 (0.47) CYP2C19HSPA5VCAM1GAAGLRA3
SCHEMBL1275798 0.81 HSPA5 (0.47) CYP2C19HSPA5HPGDGAAKMT2A
SCHEMBL2565848 0.81 VCAM1 (0.51) CYP2C19VCAM1GAAGLRA3GLRB

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 7 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
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