SCHEMBL7303314

SCHEMBL7303314

CC(C)(C)OC(=O)NCc1ccc(NCC(O)CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
XBP1 P17861 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
RECQL P46063 1/20 0.42
BRD4 O60885 1/20 0.41
CTSK P43235 1/20 0.41
SDCBP O00560 1/20 0.41
SDC2 P34741 1/20 0.41
HDAC1 Q13547 2/20 0.41
ATM Q13315 1/20 0.41
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
SCHEMBL24124249 0.85 NAMPT (0.53) NAMPTL3MBTL1MAPTTDP1GAA
SCHEMBL3180689 0.81 L3MBTL1 (0.61) NAMPTL3MBTL1MAPTTDP1GAA
SCHEMBL11090977 0.80 NAMPT (0.53) NAMPTL3MBTL1MAPTTDP1GAA
SCHEMBL15599335 0.80 NAMPT (0.53) NAMPTL3MBTL1MAPTTDP1GAA
SCHEMBL25920561 0.80 NAMPT (0.59) NAMPTL3MBTL1MAPTTDP1CA1
SCHEMBL13497484 0.79 TDP1 (0.56) NAMPTL3MBTL1MAPTTDP1GAA
SCHEMBL732456 0.79 NAMPT (0.57) NAMPTL3MBTL1MAPTTDP1GAA
SCHEMBL1164796 0.78 L3MBTL1 (0.56) NAMPTL3MBTL1MAPTTDP1GAA
SCHEMBL7768956 0.77 L3MBTL1 (0.52) NAMPTL3MBTL1MAPTTDP1GAA
SCHEMBL7768959 0.77 L3MBTL1 (0.52) NAMPTL3MBTL1MAPTTDP1GAA

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
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US disclosed
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed