SCHEMBL5873003

SCHEMBL5873003

CC(SCc1cc(CSC(C)C(C)C(=O)O)c(O)c(C(C)(C)C)c1)C(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.42
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
HMGCR P04035 2/20 0.36
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 3/20 0.35
TSHR P16473 3/20 0.35
MEN1 O00255 3/20 0.35
HIF1A Q16665 3/20 0.35
MAPK1 P28482 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 2/20 0.35
BLM P54132 2/20 0.35
ATM Q13315 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 5/20 0.35
LMNA P02545 3/20 0.35

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
SCHEMBL1274596 0.89 NR5A2 (0.40) HSPA5HMGCRKMT2AALDH1A1CYP1A2
SCHEMBL1274594 0.87 HSPA5 (0.36) HSPA5KMT2AALDH1A1CYP1A2MAPK1
SCHEMBL5872981 0.86 HSPA5 (0.44) HSPA5GLRA3GLRBHMGCRKMT2A
SCHEMBL1275454 0.86 HSPA5 (0.40) HSPA5HMGCRKMT2AALDH1A1CYP1A2
Dimethylamine SCHEMBL1275508 0.83 HSPA5 (0.44) HSPA5GLRA3GLRBHMGCRKMT2A
SCHEMBL1274824 0.82 HSPA5 (0.50) HSPA5HMGCRKMT2AALDH1A1CYP1A2
SCHEMBL1275797 0.81 HSPA5 (0.44) HSPA5GLRA3GLRBHMGCRKMT2A
SCHEMBL1275832 0.80 EPHX1 (0.47) HSPA5GLRA3GLRBHMGCRKMT2A
SCHEMBL1275507 0.79 HSPA5 (0.38) HSPA5GLRA3GLRBHMGCRKMT2A
SCHEMBL1275751 0.79 HSPA5 (0.42) HSPA5HMGCRKMT2AALDH1A1CYP1A2

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