SCHEMBL8749647

SCHEMBL8749647

CC(C)(C)OC(=O)NCC1CC(ON2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
NAMPT P43490 2/20 0.43
ACACB O00763 7/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
ACACA Q13085 4/20 0.41
MALT1 Q9UDY8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39

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
SCHEMBL23069631 0.82 KMT2A (0.49) DRD2NAMPTCKS1BSKP1SKP2
SCHEMBL23069633 0.82 KMT2A (0.49) DRD2NAMPTCKS1BSKP1SKP2
SCHEMBL4775473 0.79 KDM1A (0.48) DRD2NAMPTCKS1BSKP1SKP2
SCHEMBL8749693 0.79 MALT1 (0.41) DRD2NAMPTACACBCKS1BSKP1
SCHEMBL4775476 0.79 KDM1A (0.48) DRD2NAMPTCKS1BSKP1SKP2
SCHEMBL4724999 0.79 KDM1A (0.48) DRD2NAMPTCKS1BSKP1SKP2
SCHEMBL8749666 0.79 MALT1 (0.41) DRD2NAMPTACACBCKS1BSKP1
SCHEMBL8749663 0.79 MALT1 (0.41) DRD2NAMPTACACBCKS1BSKP1
SCHEMBL4724995 0.79 KDM1A (0.48) DRD2NAMPTCKS1BSKP1SKP2
SCHEMBL4724994 0.79 KDM1A (0.48) DRD2NAMPTCKS1BSKP1SKP2

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