SCHEMBL7992658

SCHEMBL7992658

CCOC(=O)c1ccc(/C(=N/C(=O)OC(C)(C)C)NCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 6/20 0.56
NAMPT P43490 2/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
HTT P42858 1/20 0.49
KDM4E B2RXH2 2/20 0.47
PPID Q08752 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX12 P18054 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 2/20 0.43

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
SCHEMBL7992662 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNAMPTKMT2AMEN1
SCHEMBL7986750 0.87 MMP8 (0.48) MAPTKMT2ALMNAHPGDRAB9A
SCHEMBL7986748 0.87 MMP8 (0.48) MAPTKMT2ALMNAHPGDRAB9A
SCHEMBL7989719 0.82 LMNA (0.42) SMN1; SMN2MAPTKMT2AMEN1PPID
SCHEMBL7989716 0.82 LMNA (0.42) SMN1; SMN2MAPTKMT2AMEN1PPID
SCHEMBL7986484 0.82 CA1 (0.46) SMN1; SMN2MAPTKMT2AMEN1HTT
SCHEMBL7986483 0.82 CA1 (0.46) SMN1; SMN2MAPTKMT2AMEN1HTT
SCHEMBL29941909 0.80 SMN1; SMN2 (0.63) SMN1; SMN2MAPTNAMPTKMT2AMEN1
SCHEMBL3905352 0.76 HTT (0.59) SMN1; SMN2MAPTNAMPTKMT2AMEN1
SCHEMBL20127882 0.75 CA12 (0.46) SMN1; SMN2MAPTKMT2AMEN1PPID

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed