SCHEMBL3641237

SCHEMBL3641237

CCOC(=O)n1c(C(=O)O)cc2ccc(NC(=O)CCOC(C)(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 4/20 0.38
NR1H2 P55055 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NR1I3 Q14994 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL13560524 0.91 ECE1 (0.38) ACSS2NR1H2
SCHEMBL3028971 0.91 NR1H2 (0.46) ACSS2NR1H2
SCHEMBL3033009 0.87 NR1H2 (0.41) MEN1KMT2APOLBMAPTNR1H2
SCHEMBL3641231 0.87 KMT2A (0.41) ACSS2MEN1KMT2APOLBMAPT
SCHEMBL13560522 0.83 ECE1 (0.36) ACSS2MEN1KMT2APOLBMAPT
SCHEMBL13560523 0.77 ACSS2 (0.36) ACSS2MEN1KMT2APOLBMAPT
SCHEMBL3639293 0.72 MMP13 (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13560429 0.70 BRPF1 (0.38) NR1H2ALDH1A1HPGD
SCHEMBL1950213 0.69 L3MBTL1 (0.44) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3640350 0.68 CCR2 (0.50) MEN1KMT2APOLBMAPTALDH1A1

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-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed