SCHEMBL2231010

SCHEMBL2231010

CCCC(OC(=O)NCCCC(=O)Oc1ccc(Cl)cc1)OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
MGLL Q99685 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.38
BCHE P06276 1/20 0.38
LIPE Q05469 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL636729 0.99 KMT2A (0.43) KMT2AMEN1LMNATSHRALOX12
SCHEMBL636937 0.91 TAAR1 (0.43) KMT2AMEN1LMNATSHRALOX12
SCHEMBL917319 0.87 MGLL (0.39) KMT2AMEN1LMNATAAR1MGLL
SCHEMBL641010 0.86 MGLL (0.38) KMT2AMEN1LMNATAAR1MGLL
SCHEMBL637631 0.86 MGLL (0.38) KMT2AMEN1LMNATAAR1MGLL
SCHEMBL636954 0.86 MGLL (0.38) KMT2AMEN1LMNATAAR1MGLL
SCHEMBL637967 0.86 MGLL (0.38) KMT2AMEN1LMNATAAR1MGLL
SCHEMBL637517 0.85 MGLL (0.42) KMT2AMGLLBCHELIPE
SCHEMBL917276 0.85 TAAR1 (0.45) KMT2AMEN1LMNATSHRALOX12
SCHEMBL916906 0.83 TAAR1 (0.43) KMT2AMEN1LMNATSHRALOX12

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