SCHEMBL4428613

SCHEMBL4428613

COC(c1ccc(COC(c2ccc(C(=O)C(C)(C)O)cc2)c2ccc(C(=O)C(C)(C)O)cc2)cc1)(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.36
RXRB P28702 3/20 0.36
NR4A2 P43354 2/20 0.36
HNF4A P41235 1/20 0.33
MAOB P27338 1/20 0.33
RXRG P48443 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
EPHX2 P34913 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
FFAR1 O14842 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARG P37231 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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 0.89 RXRA (0.39) RXRARXRBNR4A2HNF4AMAOB
SCHEMBL4428583 0.84 PPARG (0.37) RXRARXRBNR4A2HNF4ARXRG
SCHEMBL4428575 0.83 SLC1A3 (0.40) RXRARXRBNR4A2HNF4AMAOB
SCHEMBL4428591 0.77 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL4421789 0.76 SLC6A4 (0.37) LMNA
SCHEMBL4422397 0.76 HDAC6 (0.31) HDAC6ALDH1A1LMNA
SCHEMBL4424402 0.75 SLC6A4 (0.36) RXRAHNF4AL3MBTL1LMNA
SCHEMBL4414842 0.75 BCHE (0.36) RXRAHNF4ACA1CA2HDAC6
SCHEMBL4414827 0.74 MLYCD (0.36) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4418223 0.74

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