SCHEMBL4418252

SCHEMBL4418252

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
CYP4A11 Q02928 2/20 0.34
CYP4F2 P78329 1/20 0.34
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
POLB P06746 1/20 0.33
RXRA P19793 1/20 0.32
HNF4A P41235 1/20 0.32
LSS P48449 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 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
SCHEMBL4425421 1.00 GAA (0.34) GAACYP4A11CYP4F2SLC6A4SLC6A3
SCHEMBL4427246 0.94 GAA (0.38) GAASLC6A4SLC6A3RXRAHNF4A
SCHEMBL4416269 0.94 GAA (0.38) GAASLC6A4SLC6A3RXRAHNF4A
SCHEMBL4418480 0.94 GAA (0.38) GAASLC6A4SLC6A3RXRAHNF4A
SCHEMBL4429408 0.94 GAA (0.38) GAASLC6A4SLC6A3RXRAHNF4A
SCHEMBL4421923 0.94 GAA (0.38) GAASLC6A4SLC6A3RXRAHNF4A
SCHEMBL4424402 0.93 SLC6A4 (0.36) GAASLC6A4SLC6A3RXRAHNF4A
SCHEMBL4422002 0.90 SLC6A4 (0.35) SLC6A4SLC6A3
SCHEMBL4428594 0.89 TP53 (0.43) RXRAHNF4A
SCHEMBL4421789 0.88 SLC6A4 (0.37) SLC6A4SLC6A3

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