SCHEMBL10499396

SCHEMBL10499396

CC(=O)Oc1ccc(N(C)CCCCCCC#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
CUL4A Q13619 1/20 0.36
ESRRB O95718 1/20 0.36
ELANE P08246 1/20 0.36
GRK6 P43250 1/20 0.35
ESR1 P03372 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MAOB P27338 1/20 0.34
GFER P55789 1/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL10498896 0.85 BCL9 (0.42) MLYCDLMNAMAPTESR1ALDH1A1
SCHEMBL10499666 0.78 MLYCD (0.39) MLYCDMAPTGRK6ESR1ALDH1A1
SCHEMBL10499702 0.74 GAA (0.50) LMNAPOLBMAPTPKMALDH1A1
Hydrochloric Acid SCHEMBL5875622 0.74 LMNA (0.46) LMNAPOLBMAPTPKMESRRB
SCHEMBL9101850 0.73 ALDH1A1 (0.49) LMNAPOLBMAPTESR1ALDH1A1
SCHEMBL25942843 0.72 ESR1 (0.56) MAPTESRRBELANEESR1ALDH1A1
SCHEMBL10499402 0.72 CHRM2 (0.49)
SCHEMBL19823002 0.69 ELANE (0.43) LMNAPOLBMAPTPKMESRRB
SCHEMBL2170993 0.69 LMNA (0.59) LMNAPOLBMAPTPKMELANE
SCHEMBL151367 0.68 KCNA3 (0.43) MLYCDMAPTALDH1A1SMN1; SMN2HSD17B10

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 3 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 claimed
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