SCHEMBL3949409

SCHEMBL3949409

N#Cc1cccc(COC(=O)CC(=O)COc2ccccc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.50
TRPM4 Q8TD43 1/20 0.49
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
XBP1 P17861 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL3950320 0.80 FFAR1 (0.45) MRGPRX4FFAR1FFAR4VNN1CNR1
SCHEMBL5469717 0.80 MRGPRX4 (0.74) MRGPRX4RAB9AMEN1NPC1HPGD
SCHEMBL4203997 0.77 SMN1; SMN2 (0.49) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL20954353 0.75 FFAR1 (0.49) MRGPRX4SGMS2FFAR1FFAR4VNN1
SCHEMBL3943298 0.74 FFAR1 (0.43) MRGPRX4HPGDSGMS2FFAR1FFAR4
SCHEMBL3951977 0.72 FFAR1 (0.46) KMT2ASGMS2FFAR1FFAR4CNR1
SCHEMBL16150588 0.71 ALDH1A1 (0.56) MRGPRX4FFAR1FFAR4CNR1
SCHEMBL29248542 0.71 FFAR1 (0.64) MEN1KMT2AFFAR1FFAR4CNR1
SCHEMBL22480929 0.71 MRGPRX4 (0.68) MRGPRX4RAB9AMEN1NPC1HPGD
SCHEMBL3947205 0.70 FFAR1 (0.58) RAB9AMEN1NPC1KMT2ASMN1; SMN2

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
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed