SCHEMBL2231583

SCHEMBL2231583

CCCC(=O)OC(C)OC(=O)NCCCC(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MGLL Q99685 4/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BCHE P06276 1/20 0.40
LIPE Q05469 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL637841 0.99 KMT2A (0.40) KMT2AMGLLTAAR1ALDH1A1BCHE
SCHEMBL2231234 0.89 KMT2A (0.41) KMT2AMGLLTAAR1ALDH1A1BCHE
SCHEMBL2231584 0.88 TAAR1 (0.41) KMT2AMGLLTAAR1ALDH1A1BCHE
SCHEMBL915583 0.88 KMT2A (0.40) KMT2AMGLLTAAR1ALDH1A1BCHE
SCHEMBL637975 0.88 KMT2A (0.40) KMT2AMGLLTAAR1ALDH1A1BCHE
SCHEMBL640972 0.87 TAAR1 (0.41) KMT2AMGLLTAAR1ALDH1A1BCHE
SCHEMBL917319 0.87 MGLL (0.39) KMT2AMGLLTAAR1ALDH1A1BCHE
SCHEMBL638583 0.87 MGLL (0.39) KMT2AMGLLTAAR1BCHELIPE
SCHEMBL641010 0.86 MGLL (0.38) KMT2AMGLLTAAR1ALDH1A1BCHE
SCHEMBL637967 0.86 MGLL (0.38) KMT2AMGLLTAAR1ALDH1A1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354120-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-08-10 EP disclosed