SCHEMBL16450342

SCHEMBL16450342

C#CCCCCOc1cc(C=O)cc(OCCCCC#C)c1CCCN

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.35
MAOA P21397 3/20 0.35
ALOX5 P09917 3/20 0.35
FDPS P14324 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
HTR2A P28223 2/20 0.32
MAPK1 P28482 1/20 0.30
LMNA P02545 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL16450337 0.99 MAOB (0.34) MAOBMAOAALOX5FDPSALDH1A1
SCHEMBL17996855 0.96 FDPS (0.34) MAOBMAOAALOX5FDPSALDH1A1
SCHEMBL17996853 0.92 ALOX5 (0.35) MAOBMAOAALOX5FDPSALDH1A1
SCHEMBL16450339 0.85 FDPS (0.40) FDPSALDH1A1MAPTMAPK1LMNA
SCHEMBL16450336 0.84
SCHEMBL17996549 0.83 HTR2A (0.36) MAOBMAOAALOX5ALDH1A1HTR2A
SCHEMBL22474116 0.81 FDPS (0.38) MAOBMAOAALOX5FDPSALDH1A1
SCHEMBL16446802 0.80 TTR (0.40) MAOBALDH1A1HPGD
SCHEMBL16450367 0.80 ALOX5 (0.39) MAOBMAOAALOX5FDPSALDH1A1
SCHEMBL16450538 0.79 MAOB (0.42) MAOBMAOAALOX5HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016126941-A1 MULTIMERIC PROTECTED FLUORESCENT REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-08-11 WO disclosed
WO-2015021079-A1 PROTECTED FLUORESCENT REAGENT COMPOUNDS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-02-12 WO disclosed