SCHEMBL13607264

SCHEMBL13607264

C=Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
HIF1A Q16665 1/20 0.49
F2 P00734 1/20 0.47
PARP10 Q53GL7 2/20 0.46
PARP15 Q460N3 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
POLB P06746 1/20 0.46
PRSS1 P07477 2/20 0.45
ACR P10323 2/20 0.45
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.44
GFER P55789 1/20 0.44
RAB9A P51151 1/20 0.43
P4HB P07237 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL20045129 1.00 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL20045125 0.96 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL20045133 0.96 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL18292254 0.91 MAPT (0.49) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL29038955 0.87 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL16812851 0.87 KMT2A (0.54) ALDH1A1CYP1A2F2PARP10PRSS1
SCHEMBL8496209 0.87 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL103296 0.87 KMT2A (0.54) ALDH1A1CYP1A2F2PARP10PRSS1
SCHEMBL10462833 0.86 MAPT (0.51) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL12354572 0.86 ALDH1A1 (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8790545-B2 Composition for liquid crystal film, liquid crystal film using composition, and method of manufacturing liquid crystal film LG CHEM, LTD. (KR) 2014-07-29 US disclosed
US-20130053468-A1 COMPOSITION FOR LIQUID CRYSTAL FILM, LIQUID CRYSTAL FILM USING COMPOSITION, AND METHOD OF MANFACTURING LIQUID CRYSTAL FILM LG CHEM, LTD. (KR) 2013-02-28 US disclosed
US-7622166-B2 birefringence layer includes a polymerizable liquid crystal having rodlike molecules and a fluoroalkylsilyl coupling agent and a surfactant that homeotropically align the polymerizable liquid crystal to form a crosslinked polymer in a state of homeotropic alignment; low cost, heat resistance DAI NIPPON PRINTING CO., LTD. (JP) 2009-11-24 US disclosed
US-7342623-B2 Optical element and liquid crystal display device using the same DAI NIPPON PRINTING CO., LTD. (JP) 2008-03-11 US disclosed
CN-1140194-A Liquid crystalline compound having branched alkyl group at its side chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 CN disclosed