SCHEMBL4428610

SCHEMBL4428610

CC(C)(O)C(=O)c1ccc(C(OCc2ccc(COC(c3ccc(C(=O)C(C)(C)O)cc3)c3ccc(C(=O)C(C)(C)O)cc3)cc2)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.39
RXRB P28702 4/20 0.39
HNF4A P41235 1/20 0.38
NR4A2 P43354 1/20 0.36
RXRG P48443 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOB P27338 2/20 0.33
PPARG P37231 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ELANE P08246 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL4428583 0.94 PPARG (0.37) RXRARXRBHNF4ANR4A2RXRG
SCHEMBL4428575 0.93 SLC1A3 (0.40) RXRARXRBHNF4ANR4A2RXRG
SCHEMBL4428613 0.89 RXRA (0.36) RXRARXRBHNF4ANR4A2RXRG
SCHEMBL4421789 0.85 SLC6A4 (0.37)
SCHEMBL4414842 0.84 BCHE (0.36) RXRAHNF4AESR1ESR2ELANE
SCHEMBL4424402 0.84 SLC6A4 (0.36) RXRAHNF4A
SCHEMBL4418480 0.83 GAA (0.38) RXRAHNF4A
SCHEMBL4427246 0.83 GAA (0.38) RXRAHNF4A
SCHEMBL4421923 0.83 GAA (0.38) RXRAHNF4A
SCHEMBL4422392 0.83 ELANE (0.33) ELANE

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