SCHEMBL4414918

SCHEMBL4414918

COC(c1ccc(C(=O)C(C)(C)O)cc1)c1cccc(C(=O)C(C)(C)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.37
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
SRC P12931 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
ACHE P22303 1/20 0.35
MLKL Q8NB16 3/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
MAPT P10636 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4416260 0.90 ACHE (0.36) PTGS1PTGS2SRCACHEGABBR2
SCHEMBL4418821 0.90 ACHE (0.36) PTGS1PTGS2SRCACHEGABBR2
SCHEMBL3678671 0.88 SRC (0.44) CHEK2SRCRARARARBRARG
SCHEMBL3088741 0.88 SRC (0.37) CHEK2SRCRARARARBRARG
Methoxymethane SCHEMBL4418025 0.86 SRC (0.36) CHEK2SRCRARARARBRARG
SCHEMBL4423667 0.83 GAA (0.37) PTGS1PTGS2ALDH1A1CTNNB1
SCHEMBL4551012 0.83 GAA (0.37) PTGS1PTGS2ALDH1A1CTNNB1
SCHEMBL4420966 0.81 CA1 (0.44) PTGS1PTGS2ACHEGABBR2GABBR1
SCHEMBL4415970 0.79 CHRM2 (0.39) ACHELMNAMAPK1
SCHEMBL10067694 0.78 ESR1 (0.45) SRCMAPTSMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed