SCHEMBL4425374

SCHEMBL4425374

CC(C)(O)C(=O)c1ccc(C(NC(c2ccc(C(=O)C(C)(C)O)cc2)c2cccc(C(=O)C(C)(C)O)c2)c2cccc(C(=O)C(C)(C)O)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MAPT P10636 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
PMP22 Q01453 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CXCL8 P10145 1/20 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
SCHEMBL4429428 0.83 OPRD1 (0.40) TP53BP1ALDH1A1GAAPTGS1PTGS2
SCHEMBL4420966 0.82 CA1 (0.44) TP53BP1ACHEALDH1A1PTGS1PTGS2
SCHEMBL4418821 0.79 ACHE (0.36) TP53BP1ACHEALDH1A1PTGS1PTGS2
SCHEMBL4416260 0.79 ACHE (0.36) TP53BP1ACHEALDH1A1PTGS1PTGS2
SCHEMBL4414918 0.78 CHEK2 (0.37) TP53BP1ACHEALDH1A1PTGS1PTGS2
SCHEMBL4429430 0.78 ACHE (0.35) TP53BP1ACHEALDH1A1PTGS1PTGS2
SCHEMBL3675460 0.77 OPRD1 (0.42) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL4422781 0.76 MLYCD (0.35) ALDH1A1GAALMNACYP3A4HIF1A
SCHEMBL12013627 0.75 ACHE (0.50) ACHEGAACYP3A4HSD17B10SRC
SCHEMBL4417603 0.75 MLYCD (0.35) OPRD1MEN1KMT2A

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