SCHEMBL8749663

SCHEMBL8749663

CC(C)(C)OC(=O)NCC1CC1CON1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.41
DRD2 P14416 1/20 0.41
NAMPT P43490 3/20 0.41
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
ACACB O00763 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
ACACA Q13085 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8749693 1.00 MALT1 (0.41) MALT1DRD2NAMPTTPSAB1TPSD1
SCHEMBL8749666 1.00 MALT1 (0.41) MALT1DRD2NAMPTTPSAB1TPSD1
SCHEMBL8749707 0.79 KMT2A (0.49) DRD2NAMPTALDH1A1CYP1A2CYP2C9
SCHEMBL8749404 0.79 KMT2A (0.49) DRD2NAMPTALDH1A1CYP1A2CYP2C9
SCHEMBL8749408 0.79 KMT2A (0.49) DRD2NAMPTALDH1A1CYP1A2CYP2C9
SCHEMBL8749647 0.79 DRD2 (0.46) MALT1DRD2NAMPTDDB1CRBN
SCHEMBL2451977 0.78 MALT1 (0.52) MALT1DRD2TPSAB1TPSD1TPSG1
SCHEMBL29727448 0.78 MALT1 (0.52) MALT1DRD2TPSAB1TPSD1TPSG1
SCHEMBL8749510 0.76 DRD2 (0.51) DRD2ACACBCKS1BSKP1SKP2
SCHEMBL8749514 0.76 DRD2 (0.51) DRD2ACACBCKS1BSKP1SKP2

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