SCHEMBL12354572

SCHEMBL12354572

C=CC(=O)Oc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HIF1A Q16665 1/20 0.50
F2 P00734 1/20 0.48
PARP10 Q53GL7 2/20 0.47
PARP15 Q460N3 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
POLB P06746 1/20 0.47
PRSS1 P07477 2/20 0.46
ACR P10323 2/20 0.46
MAPT P10636 2/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
THRB P10828 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL343191 0.90 THRB (0.50) ALDH1A1F2PARP10PARP15PARP2
SCHEMBL4578283 0.89 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL8496209 0.88 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL29038955 0.88 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL10308963 0.88 MAPT (0.45) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL16449859 0.88 MAPT (0.45) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL16657530 0.88 MAPT (0.45) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL8461569 0.87 THRB (0.55) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL7455238 0.87 HSD17B10 (0.53) ALDH1A1CYP1A2F2PARP10PRSS1
SCHEMBL13607264 0.86 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2D6HIF1AF2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920249-B2 Liquid crystal composition LG CHEM, LTD. (KR) 2018-03-20 US disclosed
US-9329426-B2 Optical element LG CHEM, LTD. (KR) 2016-05-03 US disclosed
US-9285524-B2 Optical filter LG CHEM, LTD. (KR) 2016-03-15 US disclosed
US-20140153093-A1 OPTICAL FILTER LG CHEM, LTD. (KR) 2014-06-05 US disclosed
US-8647726-B2 Optical element LG CHEM, LTD. (KR) 2014-02-11 US disclosed
US-20120257129-A1 OPTICAL ELEMENT LG CHEM, LTD. (KR) 2012-10-11 US disclosed
US-7998542-B2 Composition, retardation plate, liquid-crystal display device, and method for producing retardation plate FUJIFILM CORPORATION (JP) 2011-08-16 US disclosed
US-7931825-B2 Polymerizable composition ADEKA CORPORATION (JP) 2011-04-26 US disclosed
US-7931825-B2 Polymerizable composition ADEKA CORPORATION (JP) 2011-04-26 US disclosed
US-20100090163-A1 POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2010-04-15 US disclosed
US-20100090163-A1 POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2010-04-15 US disclosed
EP-2110390-A1 POLYMERIZABLE COMPOSITION Adeka Corporation (JP) 2009-10-21 EP disclosed
US-20090174844-A1 Composition, Retardation Plate, Liquid-Crystal Display Device, and Method for Producing Retardation Plate FUJIFILM CORPORATION (JP) 2009-07-09 US disclosed
WO-2007083848-A1 COMPOSITION, RETARDATION PLATE, LIQUID-CRYSTAL DISPLAY DEVICE, AND METHOD FOR PRODUCING RETARDATION PLATE FUJIFILM CORPORATION (JP) 2007-07-26 WO disclosed