SCHEMBL7458570

SCHEMBL7458570

CC(C)(C)OC(=O)NCc1ccc(N2CC(C(=O)O)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
F10 P00742 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
F2 P00734 2/20 0.39
ITGB3 P05106 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
ITGA2B P08514 1/20 0.39
PRSS3 P35030 1/20 0.39
GAA P10253 1/20 0.38
HDAC1 Q13547 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL7458575 0.85 NAMPT (0.42) NAMPTF10L3MBTL1MEN1KMT2A
SCHEMBL7314568 0.85 F10 (0.48) NAMPTF10
SCHEMBL8892282 0.85 NAMPT (0.41) NAMPTMEN1KMT2APOLBHDAC1
SCHEMBL7465489 0.83 MEN1 (0.42) NAMPTMEN1KMT2APOLBCYP2C19
SCHEMBL8892459 0.83 F10 (0.41) NAMPTF10MEN1KMT2APOLB
SCHEMBL8893137 0.82 ADORA2A (0.49) MEN1KMT2A
SCHEMBL7464219 0.82 SIGMAR1 (0.41) NAMPTF10MEN1KMT2ACA1
Water SCHEMBL7461996 0.82 SIGMAR1 (0.41) NAMPTF10MEN1KMT2ACA1
SCHEMBL7457631 0.82 KMT2A (0.51) MEN1KMT2A
SCHEMBL7463621 0.81 NAMPT (0.38) NAMPTF10MEN1KMT2APOLB

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