SCHEMBL4429430

SCHEMBL4429430

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 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
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
PMP22 Q01453 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CXCL8 P10145 1/20 0.34
THPO P40225 1/20 0.34
HIF1A Q16665 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
SCHEMBL4420995 0.94 ACHE (0.31) ACHEPTGS1PTGS2MAPTCXCR1
SCHEMBL4418821 0.81 ACHE (0.36) ACHEPTGS1PTGS2MAPTCXCR1
SCHEMBL4416260 0.81 ACHE (0.36) ACHEPTGS1PTGS2MAPTCXCR1
SCHEMBL4420966 0.81 CA1 (0.44) ACHEPTGS1PTGS2MAPTCXCR1
SCHEMBL4425374 0.78 TP53BP1 (0.36) ACHEPTGS1PTGS2MAPTCXCR1
SCHEMBL4551014 0.78 CHRNA7 (0.45) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4414918 0.77 CHEK2 (0.37) ACHEPTGS1PTGS2MAPTCXCR1
SCHEMBL4418946 0.75 MLYCD (0.33) ALDH1A1HPGDHSD17B10OPRD1
SCHEMBL12013627 0.74 ACHE (0.50) ACHECYP3A4HSD17B10
SCHEMBL10942319 0.74 MAPT (0.53) PTGS1PTGS2MAPTCXCR1CXCR2

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