SCHEMBL10499702

SCHEMBL10499702

CC(=O)Oc1ccc(NCCCCCCC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 3/20 0.44
HSP90AA1 P07900 1/20 0.44
MGLL Q99685 2/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL10499402 0.81 CHRM2 (0.49) MGLLKMT2AMEN1
SCHEMBL4257353 0.80 MAPT (0.59) GAAALDH1A1MAPTHSP90AA1LMNA
SCHEMBL8908646 0.79 GAA (0.51) GAAALDH1A1MAPTHSP90AA1MGLL
SCHEMBL15613886 0.77 GAA (0.53) GAAALDH1A1MAPTHSP90AA1LMNA
SCHEMBL3474585 0.77 PRSS1 (0.46) GAAALDH1A1
SCHEMBL10498867 0.76 GAA (0.45) GAAALDH1A1MAPTHTT
SCHEMBL10499063 0.76 GAA (0.45) GAAALDH1A1MAPTHTT
SCHEMBL10499081 0.76 GAA (0.45) GAAALDH1A1MAPTHTT
SCHEMBL10499055 0.76 GAA (0.45) GAAALDH1A1MAPTHTT
SCHEMBL3411340 0.75 NPC1 (0.58) GAAALDH1A1MAPTHSP90AA1KMT2A

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
US-4835180-A N-(ω-cyanoalkyl)aminophenols and use as inhibitors of lipoxygenase activity STERLING DRUG INC. (US) 1989-05-30 US disclosed
EP-0262618-A2 N-(omega)-cyanoalkyl)aminophenols, and their preparation STERLING DRUG INC. (US) 1988-04-06 EP disclosed