SCHEMBL5307272

SCHEMBL5307272

CCS(=O)(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.52
HPGD P15428 4/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA1 P00915 2/20 0.49
CA2 P00918 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PTPRB P23467 1/20 0.47
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2002710 0.87 EPHX2 (0.60) NAMPTHPGDLMNAHTTSMN1; SMN2
SCHEMBL19553731 0.87 NAMPT (0.48) NAMPTLMNACA1CA2L3MBTL1
SCHEMBL22407524 0.86 CA1 (0.55) NAMPTLMNACA1CA2L3MBTL1
SCHEMBL5308235 0.85 PPARA (0.55) NAMPTLMNASMN1; SMN2CA1CA2
SCHEMBL4887187 0.85 NAMPT (0.51) NAMPTLMNACA1CA2L3MBTL1
SCHEMBL4892802 0.85 CA1 (0.58) NAMPTLMNACA1CA2L3MBTL1
SCHEMBL4891161 0.84 HPGD (0.52) NAMPTHPGDLMNACA1CA2
SCHEMBL3180689 0.83 L3MBTL1 (0.61) NAMPTCA1CA2L3MBTL1GAA
SCHEMBL19640466 0.83 NAMPT (0.49) NAMPTLMNACA1CA2L3MBTL1
SCHEMBL20946387 0.82 LMNA (0.58) NAMPTLMNACA1CA2GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007047575-A2 PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-26 WO disclosed