SCHEMBL7465489

SCHEMBL7465489

CC(C)(C)OC(=O)NCc1ccc(N2CC(C(=O)[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NAMPT P43490 2/20 0.40
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
CTRB1 P17538 1/20 0.38
CTSK P43235 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NTSR1 P30989 1/20 0.37
ALDH1A1 P00352 1/20 0.37
AKT1 P31749 1/20 0.36

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
SCHEMBL8892282 0.95 NAMPT (0.41) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL7457631 0.86 KMT2A (0.51) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL8893137 0.84 ADORA2A (0.49) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL7458570 0.83 NAMPT (0.43) MEN1KMT2ANAMPTCYP2C19POLB
SCHEMBL27505327 0.80 RORC (0.42)
SCHEMBL8892340 0.78 MEN1 (0.42) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL8892614 0.77 HPGD (0.43) MEN1KMT2ATDP1NAMPTCYP2D6
SCHEMBL7462288 0.76 LMNA (0.40) MEN1KMT2AMAPTTDP1NAMPT
SCHEMBL7458575 0.76 NAMPT (0.42) MEN1KMT2ANAMPTCYP2C19POLB
SCHEMBL7314568 0.76 F10 (0.48) NAMPT

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