SCHEMBL8749404

SCHEMBL8749404

CC(C)(C)OC(=O)N[C@H]1C[C@@H](CON2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD2 P14416 4/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
EPHX2 P34913 1/20 0.43
KCNA3 P22001 1/20 0.41
BRD4 O60885 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD3 P35462 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
BTK Q06187 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL8749707 1.00 KMT2A (0.49) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL8749408 1.00 KMT2A (0.49) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL8749514 0.92 DRD2 (0.51) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL8749508 0.92 DRD2 (0.51) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL8749510 0.92 DRD2 (0.51) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL23069633 0.82 KMT2A (0.49) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL23069631 0.82 KMT2A (0.49) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL17374196 0.80 L3MBTL1 (0.55) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL17374193 0.80 L3MBTL1 (0.55) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL8749666 0.79 MALT1 (0.41) KMT2AL3MBTL1DRD2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644872-B1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS CIBA GEIGY AG (CH) 1997-03-19 EP disclosed
US-5516806-A ANTITUMOR CIBA-GEIGY CORPORATION (US) 1996-05-14 US disclosed
EP-0644872-A1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS. CIBA GEIGY AG (CH) 1995-03-29 EP disclosed
WO-1994024093-A1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS CIBA-GEIGY AG (CH) 1994-10-27 WO disclosed