SCHEMBL5310591

SCHEMBL5310591

CC(C)CCc1cc(F)cc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.42
TDP1 Q9NUW8 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.37
TOP2A P11388 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL5380546 0.84 HIF1A (0.41) HIF1ATDP1EGLN3TOP2AEGLN1
SCHEMBL5314833 0.84 MEN1 (0.49) HIF1ATDP1EGLN3EGLN1KDM4E
SCHEMBL5311760 0.83 HIF1A (0.40) HIF1ATDP1EGLN3TOP2AEGLN1
SCHEMBL5306650 0.82 MEN1 (0.47) HIF1ATDP1EGLN3EGLN1KDM4E
SCHEMBL5312400 0.81 MEN1 (0.48) HIF1ATDP1EGLN3TOP2AEGLN1
SCHEMBL5307090 0.81 HIF1A (0.39) HIF1ATDP1EGLN3EGLN1NPC1
SCHEMBL5305537 0.81 TDP1 (0.45) HIF1ATDP1TOP2AEGLN1MEN1
SCHEMBL5309478 0.81 HIF1A (0.39) HIF1ATDP1EGLN3EGLN1NPC1
SCHEMBL5305557 0.80 HIF1A (0.43) HIF1ATDP1EGLN3TOP2AEGLN1
SCHEMBL5313516 0.79 EGLN3 (0.43) HIF1ATDP1EGLN3TOP2AEGLN1

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-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO claimed