SCHEMBL8033332

SCHEMBL8033332

CCC(=O)Nc1cc(C(=O)OC)ccc1NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 1/20 0.53
SSTR3 P32745 1/20 0.49
ALDH1A1 P00352 8/20 0.48
TSHR P16473 3/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4535606 0.88 ALDH1A1 (0.64) MEN1KMT2ALMNAMAPK1SSTR3
SCHEMBL8039815 0.86 ALDH1A1 (0.56) MEN1KMT2ALMNASSTR3ALDH1A1
SCHEMBL8033450 0.85 ALDH1A1 (0.54) MEN1KMT2ALMNASSTR3ALDH1A1
SCHEMBL8038721 0.84 MEN1 (0.47) MEN1KMT2ALMNAMAPK1SSTR3
SCHEMBL4539438 0.81 ALDH1A1 (0.52) MEN1KMT2ALMNAMAPK1SSTR3
SCHEMBL4542148 0.77 LMNA (0.53) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL9688877 0.77 CA1 (0.56) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL8041888 0.76 ALDH1A1 (0.59) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8033328 0.74 ALDH1A1 (0.55) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL9402456 0.73 HDAC8 (0.69) MEN1KMT2AALDH1A1TSHRMAPT

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
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed