SCHEMBL4428575

SCHEMBL4428575

CC(C)(O)C(=O)c1ccc(C(OCc2ccccc2)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
LMNA P02545 2/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL4428610 0.93 RXRA (0.39) KMT2AMAOBMEN1ALDH1A1NR4A2
SCHEMBL4428583 0.87 PPARG (0.37) KMT2AMEN1SLC6A3NR4A2SLC6A2
SCHEMBL4418185 0.86 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1KMT2AMAOB
SCHEMBL4428613 0.83 RXRA (0.36) KMT2AMAOBMEN1ALDH1A1LMNA
SCHEMBL4421789 0.82 SLC6A4 (0.37) CYP1A2CYP2D6SLC6A3SLC6A4LMNA
SCHEMBL4414842 0.80 BCHE (0.36) CYP1A2CYP2C9CYP2C19LMNARXRA
SCHEMBL4424402 0.80 SLC6A4 (0.36) CYP1A2CYP2D6SLC6A3SLC6A4LMNA
SCHEMBL4427246 0.79 GAA (0.38) SLC6A3SLC6A4SLC6A2RXRAHNF4A
SCHEMBL4429408 0.79 GAA (0.38) SLC6A3SLC6A4SLC6A2RXRAHNF4A
SCHEMBL4422392 0.79 ELANE (0.33) SLC6A3SLC6A4

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