SCHEMBL4413080

SCHEMBL4413080

CCCCNC(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HDAC3 O15379 10/20 0.41
HDAC1 Q13547 10/20 0.41
HDAC2 Q92769 10/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MLYCD O95822 2/20 0.40
OPRD1 P41143 1/20 0.40
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NCOR2 Q9Y618 2/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCAR3 P49019 1/20 0.35

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
SCHEMBL4417629 0.94 MLYCD (0.47) ALDH1A1POLBMAPTHDAC3HDAC1
SCHEMBL4418000 0.88 ALDH1A1 (0.50) ALDH1A1POLBMAPTMLYCDOPRD1
SCHEMBL4424497 0.87 ALDH1A1 (0.46) ALDH1A1POLBMAPTHDAC3HDAC1
SCHEMBL4422471 0.87 OPRD1 (0.39) ALDH1A1POLBMAPTMLYCDOPRD1
SCHEMBL4416154 0.85 ALDH1A1 (0.39) ALDH1A1HDAC8HDAC6MLYCDOPRD1
SCHEMBL4428571 0.85 OPRD1 (0.38) ALDH1A1POLBMAPTHDAC3HDAC1
SCHEMBL4413140 0.84 OPRD1 (0.43) HDAC1HDAC8HDAC6MLYCDOPRD1
SCHEMBL4428582 0.84 OPRD1 (0.40) ALDH1A1HDAC8HDAC6MLYCDOPRD1
SCHEMBL4418619 0.81 OPRD1 (0.36) POLBMLYCDOPRD1SMN1; SMN2
SCHEMBL4418809 0.81 ALDH1A1 (0.40) ALDH1A1POLBMAPTHDAC6MLYCD

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