SCHEMBL7465104

SCHEMBL7465104

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
MAOA P21397 1/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PPARA Q07869 2/20 0.45
ROCK2 O75116 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
GRM2 Q14416 1/20 0.43
TP53 P04637 1/20 0.43
HDAC1 Q13547 2/20 0.42
KDM1A O60341 1/20 0.42
CHRM3 P20309 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7461848 0.86 NAMPT (0.46) ROCK2GRM2
SCHEMBL7584426 0.85 EPHX2 (0.47) EPHX2MAOAALDH1A1POLBMEN1
SCHEMBL7461194 0.84 ITGB3 (0.55)
SCHEMBL7461876 0.84 F10 (0.45) ALDH1A1POLBMEN1BLMKMT2A
SCHEMBL7460584 0.84 GRM2 (0.52) MAOAALDH1A1GRM2HDAC1HDAC8
SCHEMBL2798690 0.75 GRM2 (0.52) MAOAALDH1A1POLBGRM2HDAC1
SCHEMBL8892005 0.74 GRM2 (0.51) MAOAALDH1A1GRM2HDAC1HDAC8
SCHEMBL7458570 0.74 NAMPT (0.43) POLBMEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL7462105 0.73 F10 (0.51) ALDH1A1
SCHEMBL7461796 0.73 F10 (0.41) ALDH1A1MAPTLMNAHDAC1HDAC6

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 3 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
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US 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