SCHEMBL4427192

SCHEMBL4427192

COC(c1ccc(C(=O)C(C)(C)Cl)cc1)c1ccc(C(=O)C(C)(C)Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
MLKL Q8NB16 2/20 0.35
CHEK2 O96017 1/20 0.34
MLYCD O95822 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SRC P12931 1/20 0.33
CES1 P23141 1/20 0.33
ELANE P08246 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3088741 0.84 SRC (0.37) RARARARBRARGMLKLCHEK2
SCHEMBL4425629 0.82 CES1 (0.36) RARARARBRARGMLKLCHEK2
Methoxymethane SCHEMBL4418025 0.82 SRC (0.36) RARARARBRARGMLKLCHEK2
SCHEMBL10752558 0.79 CYP2C9 (0.47) L3MBTL1ALDH1A1MAPK1MEN1MAPT
SCHEMBL6448136 0.79 ESR1 (0.41) CHEK2MLYCDL3MBTL1ALDH1A1MEN1
SCHEMBL4425679 0.79 ALDH1A1 (0.34) RARARARBRARGMLKLCHEK2
SCHEMBL3678671 0.78 SRC (0.44) RARARARBRARGMLKLCHEK2
SCHEMBL27645545 0.78 GSK3B (0.35) MLYCDALDH1A1TSHRMEN1KMT2A
SCHEMBL480373 0.78 GSK3B (0.35) MLYCDALDH1A1TSHRMEN1KMT2A
SCHEMBL27625178 0.76 MLYCD (0.36) MLYCDL3MBTL1ALDH1A1MEN1KMT2A

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