SCHEMBL9899580

SCHEMBL9899580

CC(=O)CC(=O)CC(C)=NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PPARG P37231 2/20 0.41
S1PR1 P21453 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA2 P00918 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.40
PTGIR P43119 1/20 0.40
BRD4 O60885 1/20 0.40
HPGD P15428 1/20 0.40
MAOB P27338 1/20 0.40
CA9 Q16790 1/20 0.38

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
SCHEMBL9899578 1.00 ALDH1A1 (0.46) ALDH1A1PPARGS1PR1PPARANPC1
SCHEMBL9899083 0.92 ALDH1A1 (0.50) ALDH1A1PPARGS1PR1PPARANPC1
SCHEMBL9899085 0.92 ALDH1A1 (0.50) ALDH1A1PPARGS1PR1PPARANPC1
SCHEMBL9898714 0.88 ALDH1A1 (0.46) ALDH1A1PPARGS1PR1PPARANPC1
SCHEMBL9898715 0.88 ALDH1A1 (0.46) ALDH1A1PPARGS1PR1PPARANPC1
SCHEMBL9899173 0.88 CA2 (0.46) ALDH1A1PPARGS1PR1PPARANPC1
SCHEMBL9899174 0.88 CA2 (0.46) ALDH1A1PPARGS1PR1PPARANPC1
SCHEMBL9898505 0.86 ALDH1A1 (0.45) ALDH1A1PPARGS1PR1PPARANPC1
SCHEMBL9898503 0.86 ALDH1A1 (0.45) ALDH1A1PPARGS1PR1PPARANPC1
SCHEMBL2042655 0.85 NPC1 (0.47) ALDH1A1PPARGS1PR1PPARANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US claimed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US claimed
EP-2649102-B1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORP (JP) 2014-11-26 EP disclosed
US-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US disclosed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US disclosed