SCHEMBL4417629

SCHEMBL4417629

CCCCCCNC(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.47
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC3 O15379 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
EPHX1 P07099 1/20 0.40
NAAA Q02083 4/20 0.39
LMNA P02545 2/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4413080 0.94 ALDH1A1 (0.46) MLYCDHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL4428571 0.88 OPRD1 (0.38) MLYCDHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL4424497 0.87 ALDH1A1 (0.46) MLYCDHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL4418000 0.86 ALDH1A1 (0.50) MLYCDALDH1A1MAPTPOLBLMNA
SCHEMBL4422471 0.84 OPRD1 (0.39) MLYCDALDH1A1MAPTPOLBLMNA
SCHEMBL4416154 0.82 ALDH1A1 (0.39) MLYCDALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL4413140 0.82 OPRD1 (0.43) MLYCDHDAC1CYP3A4CYP2C9TSHR
SCHEMBL4428582 0.81 OPRD1 (0.40) MLYCDALDH1A1MEN1KMT2ALMNA
SCHEMBL4418549 0.80 ACHE (0.38) MLYCDALDH1A1LMNATSHR
SCHEMBL4418809 0.79 ALDH1A1 (0.40) MLYCDALDH1A1MAPTMEN1KMT2A

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