SCHEMBL8076091

SCHEMBL8076091

NCC=C=CC=Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
MAPK1 P28482 2/20 0.42
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.42
CYP19A1 P11511 1/20 0.38
MAOA P21397 1/20 0.38
IDO1 P14902 2/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
MCL1 Q07820 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5322088 0.81 MAOB (0.65) MAOBMAPK1TRPA1ALDH1A1LMNA
SCHEMBL9521289 0.81 MAOB (0.48) MAOBMAPK1TRPA1ALDH1A1LMNA
SCHEMBL7124438 0.79 MAOB (0.46) MAOBMAPK1TRPA1ALDH1A1LMNA
SCHEMBL7070788 0.79 MAOB (0.46) MAOBMAPK1TRPA1ALDH1A1LMNA
SCHEMBL7923061 0.78 MAOB (0.45) MAOBMAPK1TRPA1ALDH1A1LMNA
SCHEMBL7603176 0.75 CYP1A2 (0.37) MAOBALDH1A1LMNACYP19A1MAOA
SCHEMBL88390 0.74 MAOB (0.54) MAOBMAPK1TRPA1ALDH1A1LMNA
SCHEMBL144447 0.73 MAOB (0.59) MAOBMAPK1TRPA1ALDH1A1LMNA
SCHEMBL9790648 0.73 MAOB (0.59) MAOBMAPK1TRPA1ALDH1A1LMNA
SCHEMBL11374370 0.71 MAOB (0.64) MAOBMAPK1TRPA1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000256289-A PRODUCTION OF AMINO ACID DERIVATIVE SUMITOMO CHEM CO LTD 2000-09-19 JP disclosed