SCHEMBL2231640

SCHEMBL2231640

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
KMT2A Q03164 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSP90AA1 P07900 1/20 0.40
MGLL Q99685 1/20 0.39
BCHE P06276 1/20 0.38
LIPE Q05469 1/20 0.38

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
SCHEMBL2230122 0.90 TAAR1 (0.42) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL2231584 0.86 TAAR1 (0.41) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL640972 0.85 TAAR1 (0.41) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL2231583 0.84 KMT2A (0.41) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL2230591 0.84 KMT2A (0.42) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL916412 0.84 KMT2A (0.43) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL637841 0.83 KMT2A (0.40) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL917452 0.83 KMT2A (0.42) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL916877 0.83 KMT2A (0.41) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL637123 0.83 KMT2A (0.41) TAAR1KMT2ATDP1SMN1; 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 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