SCHEMBL5308388

SCHEMBL5308388

COc1cc(Cc2ccccc2)c2[nH]c(=O)c(C(=O)NCC(=O)O)c(O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.48
THRB P10828 3/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HIF1A Q16665 6/20 0.45
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
EGLN1 Q9GZT9 2/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL5309245 0.89 MEN1 (0.45) THRATHRBMEN1KMT2ARXFP1
SCHEMBL5308604 0.87 MEN1 (0.43) THRATHRBMEN1KMT2ARXFP1
SCHEMBL5312251 0.85 MEN1 (0.48) MEN1KMT2ARXFP1KDM4EHIF1A
SCHEMBL5312400 0.85 MEN1 (0.48) THRATHRBMEN1KMT2ARXFP1
SCHEMBL5312539 0.84 MEN1 (0.46) THRATHRBMEN1KMT2ARXFP1
SCHEMBL5308580 0.83 HIF1A (0.46) MEN1KMT2AKDM4EHIF1AEGLN1
SCHEMBL5309396 0.79 EGLN1 (0.43) MEN1KMT2ARXFP1KDM4EHIF1A
SCHEMBL5313516 0.78 EGLN3 (0.43) MEN1KMT2ARXFP1KDM4EHIF1A
SCHEMBL5310233 0.78 HIF1A (0.52) THRATHRBMEN1KMT2ARXFP1
SCHEMBL5305537 0.78 TDP1 (0.45) MEN1KMT2ARXFP1HIF1AEGLN1

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