SCHEMBL15536573

SCHEMBL15536573

COc1ccc(C(=O)Cn2c(=O)c(C(=O)C(N)C(=O)O)c(O)n(C3CCCCC3)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 3/20 0.37
OGFOD1 Q8N543 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
HIF1AN Q9NWT6 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 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
SCHEMBL3417899 0.82 EGLN1 (0.59) ALDH1A1LMNAHTTKMT2AOGFOD1
SCHEMBL15536589 0.77 NPSR1 (0.41) ALDH1A1KMT2AOGFOD1EGLN2EGLN1
SCHEMBL15536586 0.76 C5AR1 (0.44) ALDH1A1KMT2AOGFOD1EGLN2EGLN1
SCHEMBL15536738 0.75 OGFOD1 (0.38) ALDH1A1LMNAHTTKMT2AOGFOD1
SCHEMBL15536432 0.75 NPSR1 (0.60) ALDH1A1LMNAHTTKMT2AOGFOD1
SCHEMBL15535868 0.75 NPSR1 (0.60) ALDH1A1LMNAHTTKMT2AOGFOD1
SCHEMBL15536132 0.75 NPSR1 (0.60) ALDH1A1LMNAHTTKMT2AOGFOD1
SCHEMBL15536009 0.75 EGLN3 (0.37) ALDH1A1KMT2AOGFOD1EGLN2EGLN1
SCHEMBL15536497 0.74 OGFOD1 (0.40) ALDH1A1LMNAKMT2AOGFOD1EGLN2
SCHEMBL15536196 0.74 NPSR1 (0.59) ALDH1A1LMNAHTTKMT2AOGFOD1

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-2013177478-A2 TREATMENT METHOD GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-11-28 WO disclosed