SCHEMBL2222290

SCHEMBL2222290

CC(CC(C#N)C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1)N=NC(C)(C#N)CCC(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
ELANE P08246 2/20 0.34
TDP2 O95551 1/20 0.34
ALDH1A1 P00352 2/20 0.34
FAAH O00519 1/20 0.34
CYP3A4 P08684 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL2222285 0.86 ALDH1A1 (0.42) MAPK1TDP2ALDH1A1FAAHCYP3A4
SCHEMBL2348855 0.86 ALDH1A1 (0.42) MAPK1TDP2ALDH1A1FAAHCYP3A4
SCHEMBL2348861 0.86 ALDH1A1 (0.42) MAPK1TDP2ALDH1A1FAAHCYP3A4
SCHEMBL13394176 0.84 HPGD (0.41) MAPK1TDP2ALDH1A1FAAHCYP3A4
SCHEMBL13592910 0.83 MTNR1B (0.42) MAPK1TDP2ALDH1A1FAAHCYP3A4
SCHEMBL7103629 0.71 ALDH1A1 (0.50) MAPK1TDP2ALDH1A1FAAHCYP3A4
SCHEMBL25736700 0.70 ALDH1A1 (0.49) MAPK1TDP2ALDH1A1FAAHCYP3A4
SCHEMBL25736749 0.69 FAAH (0.47) MAPK1TDP2ALDH1A1FAAHCYP3A4
SCHEMBL25736723 0.68 CYP3A4 (0.51) MAPK1TDP2ALDH1A1FAAHCYP3A4
SCHEMBL5894005 0.68 CA2 (0.52) MAPK1ALDH1A1FAAHCYP3A4RXFP1

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
EP-2513157-A1 HYBRID POLYMER MATERIALS FOR LIQUID CRYSTAL ALIGNMENT LAYERS Li, Chunhong (US) 2012-10-24 EP disclosed
WO-2011084546-A1 HYBRID POLYMER MATERIALS FOR LIQUID CRYSTAL ALIGNMENT LAYERS LI CHUNHONG (US) 2011-07-14 WO disclosed