SCHEMBL10499666

SCHEMBL10499666

CN(CCCCCCC#N)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 3/20 0.38
ESRRG P62508 2/20 0.38
GRK6 P43250 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP19A1 P11511 4/20 0.34
APP P05067 1/20 0.33
HTR7 P34969 2/20 0.33
HPGD P15428 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL10499104 0.81 MLYCD (0.40) MLYCDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10499479 0.79 MAPT (0.38) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6882111 0.79 ESR1 (0.50) MAPTALDH1A1ESR1KDM4EESR2
SCHEMBL10499396 0.78 MLYCD (0.41) MLYCDMAPTALDH1A1SMN1; SMN2ESR1
SCHEMBL4630053 0.77 MAPT (0.50) MAPTALDH1A1ESR1KDM4EESR2
SCHEMBL151367 0.75 KCNA3 (0.43) MLYCDMAPTALDH1A1MEN1NPC1
SCHEMBL6880118 0.74 MAPT (0.56) MAPTALDH1A1ESR1KDM4EAPP
SCHEMBL10498896 0.74 BCL9 (0.42) MLYCDMAPTALDH1A1MEN1NPC1
SCHEMBL9695555 0.73 HRH3 (0.41) MAPTALDH1A1KMT2AESR1KDM4E
SCHEMBL9101850 0.71 ALDH1A1 (0.49) MAPTALDH1A1MEN1NPC1RAB9A

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