SCHEMBL2129944

SCHEMBL2129944

COC(=O)C(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 8/20 0.46
TDP1 Q9NUW8 8/20 0.46
MAPK1 P28482 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GPR35 Q9HC97 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
TTR P02766 1/20 0.43

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
SCHEMBL10594916 0.87 TDP1 (0.46) ALDH1A1MAPTTDP1MAPK1SMN1; SMN2
SCHEMBL11577833 0.87 ALDH1A1 (0.50) ALDH1A1MAPTTDP1MAPK1SMN1; SMN2
SCHEMBL11095934 0.87 ALDH1A1 (0.50) ALDH1A1MAPTTDP1SMN1; SMN2TSHR
SCHEMBL10777346 0.85 GAA (0.45) ALDH1A1MAPTTDP1SMN1; SMN2TSHR
SCHEMBL11577835 0.85 TTR (0.46) ALDH1A1MAPTTDP1MAPK1SMN1; SMN2
SCHEMBL12782425 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1KDM4EL3MBTL1LMNA
SCHEMBL10776650 0.84 KMT2A (0.43) ALDH1A1MAPTTDP1SMN1; SMN2TP53
SCHEMBL6220723 0.84 ALDH1A1 (0.48) ALDH1A1MAPTTDP1MAPK1SMN1; SMN2
SCHEMBL3949438 0.84 PKM (0.49) ALDH1A1MAPTTDP1MAPK1SMN1; SMN2
SCHEMBL29749387 0.84 PKM (0.49) ALDH1A1MAPTTDP1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673177-B2 Liquid crystal alignment agent, and liquid crystal alignment film and liquid crystal display element formed from the liquid crystal alignment agent CHI MEI CORPORATION (TW) 2014-03-18 US disclosed
US-20120101224-A1 LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID CRYSTAL ALIGNMENT AGENT CHI MEI CORPORATION (TW) 2012-04-26 US disclosed