SCHEMBL9898505

SCHEMBL9898505

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
S1PR1 P21453 1/20 0.43
MAOB P27338 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGIR P43119 1/20 0.39
BRD4 O60885 1/20 0.39
HPGD P15428 1/20 0.39
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
SCHEMBL9898503 1.00 ALDH1A1 (0.45) ALDH1A1S1PR1MAOBNPC1RAB9A
SCHEMBL2046265 0.92 NPC1 (0.44) ALDH1A1S1PR1MAOBNPC1RAB9A
SCHEMBL2046264 0.92 NPC1 (0.44) ALDH1A1S1PR1MAOBNPC1RAB9A
SCHEMBL9899085 0.91 ALDH1A1 (0.50) ALDH1A1S1PR1MAOBNPC1RAB9A
SCHEMBL9899083 0.91 ALDH1A1 (0.50) ALDH1A1S1PR1MAOBNPC1RAB9A
SCHEMBL2048205 0.88 S1PR1 (0.41) ALDH1A1S1PR1MAOBNPC1RAB9A
SCHEMBL2048207 0.88 S1PR1 (0.41) ALDH1A1S1PR1MAOBNPC1RAB9A
SCHEMBL9899580 0.86 ALDH1A1 (0.46) ALDH1A1S1PR1MAOBNPC1RAB9A
SCHEMBL9899578 0.86 ALDH1A1 (0.46) ALDH1A1S1PR1MAOBNPC1RAB9A
SCHEMBL2049548 0.84 SMN1; SMN2 (0.41) ALDH1A1S1PR1NPC1RAB9ACA2

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 9 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
EP-2649102-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP Bridgestone Corporation (JP) 2013-10-16 EP claimed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US claimed
WO-2012078962-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 WO 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
EP-2649102-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP Bridgestone Corporation (JP) 2013-10-16 EP disclosed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US disclosed
WO-2012078962-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 WO disclosed