SCHEMBL2473361

SCHEMBL2473361

COC(C(=O)N(OC)S(C)(=O)=O)c1ccc(OC(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
PARP10 Q53GL7 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ACACB O00763 3/20 0.37
ACACA Q13085 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.37
CNR2 P34972 1/20 0.36
MMP3 P08254 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A3 P47895 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL2389196 0.81 FAAH (0.44) KMT2APARP10PPARGPPARAPOLB
SCHEMBL2387999 0.76 KMT2A (0.55) KMT2APARP10PPARGPPARAPOLB
SCHEMBL13651984 0.65 KMT2A (0.47) KMT2APARP10POLBALDH1A1ACACB
SCHEMBL21003709 0.64 ALDH1A3 (0.47) KMT2APARP10POLBALDH1A1ACACB
SCHEMBL12480922 0.64 ALDH1A3 (0.47) KMT2APARP10POLBALDH1A1ACACB
SCHEMBL27579668 0.63 KMT2A (0.60) KMT2APARP10POLBALDH1A1GLA
SCHEMBL11002192 0.63 KMT2A (0.60) KMT2APARP10PPARGPPARAPOLB
SCHEMBL9034923 0.63 PTGS2 (0.55) KMT2APARP10MMP3ALDH1A3
Hydrogen Peroxide SCHEMBL28902806 0.62 KMT2A (0.70) KMT2APARP10POLBALDH1A1GLA
SCHEMBL125543 0.62 ALDH1A3 (0.64) KMT2APARP10POLBALDH1A1GLA

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-2544679-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2013-01-16 EP disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed