SCHEMBL7584426

SCHEMBL7584426

N#Cc1ccc(C(=O)NCc2ccc(N3CC(OC(=O)O)OC3=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
MAOA P21397 1/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARA Q07869 2/20 0.45
ROCK2 O75116 2/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
GRM2 Q14416 1/20 0.41
CHRM3 P20309 1/20 0.41
TP53 P04637 1/20 0.41
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
IDO1 P14902 1/20 0.40
ROCK1 Q13464 1/20 0.39
F10 P00742 2/20 0.39

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
SCHEMBL7529594 0.87 BACE1 (0.45) ROCK2GRM2
SCHEMBL7458348 0.85 F10 (0.43) ALDH1A1POLBMEN1BLMKMT2A
SCHEMBL7461204 0.85 ITGB3 (0.51) F10
SCHEMBL7465104 0.85 EPHX2 (0.50) EPHX2MAOAALDH1A1POLBMEN1
SCHEMBL7458575 0.76 NAMPT (0.42) POLBMEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL7520181 0.76 GRM2 (0.48) ALDH1A1GRM2HDAC1
SCHEMBL7461804 0.75 F10 (0.39) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7462114 0.75 PRSS1 (0.47) F10
SCHEMBL27491800 0.75 NAMPT (0.43) ROCK2GRM2
SCHEMBL7461984 0.74 GRM2 (0.41) GRM2F10

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-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP disclosed
EP-0697408-A1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1996-02-21 EP disclosed