SCHEMBL2230591

SCHEMBL2230591

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.37
LIPE Q05469 2/20 0.35
BCHE P06276 1/20 0.35
MGLL Q99685 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL916877 0.99 KMT2A (0.41) KMT2ATDP1TAAR1SMN1; SMN2ALDH1A1
SCHEMBL637123 0.89 KMT2A (0.41) KMT2ATDP1TAAR1SMN1; SMN2ALDH1A1
SCHEMBL2231234 0.89 KMT2A (0.41) KMT2ATDP1TAAR1SMN1; SMN2ALDH1A1
SCHEMBL2231584 0.88 TAAR1 (0.41) KMT2ATDP1TAAR1SMN1; SMN2ALDH1A1
SCHEMBL637975 0.88 KMT2A (0.40) KMT2ATDP1TAAR1SMN1; SMN2ALDH1A1
SCHEMBL915583 0.88 KMT2A (0.40) KMT2ATDP1TAAR1SMN1; SMN2ALDH1A1
SCHEMBL640972 0.87 TAAR1 (0.41) KMT2ATDP1TAAR1SMN1; SMN2ALDH1A1
SCHEMBL636260 0.87 ELANE (0.40) KMT2ATDP1TAAR1SMN1; SMN2ALDH1A1
SCHEMBL916906 0.85 TAAR1 (0.43) KMT2ATDP1TAAR1ALDH1A1LMNA
SCHEMBL2230122 0.85 TAAR1 (0.42) KMT2ATDP1TAAR1SMN1; SMN2ALDH1A1

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-2354120-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-08-10 EP disclosed
WO-2008157408-A2 USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY XENOPORT, INC. (US) 2008-12-24 WO disclosed