SCHEMBL11271213

SCHEMBL11271213

CN(CC(=O)c1ccc2cc(O)c(O)cc2c1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.58
OPRM1 P35372 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
KMT2A Q03164 3/20 0.44
PLAU P00749 1/20 0.44
HDAC1 Q13547 1/20 0.44
BCHE P06276 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
LCK P06239 1/20 0.43
APP P05067 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Hydrochloric Acid SCHEMBL11277277 0.99 ACHE (0.56) ACHEOPRM1TMEM97SIGMAR1KMT2A
SCHEMBL30423344 0.87 ACHE (0.54) ACHEKMT2AHDAC1BCHEKDM4E
SCHEMBL4322968 0.87 ACHE (0.54) ACHEKMT2AHDAC1BCHEKDM4E
Hydrochloric Acid SCHEMBL31650819 0.86 ACHE (0.53) ACHEKMT2AHDAC1BCHEKDM4E
SCHEMBL11284051 0.86 ACHE (0.57) ACHEOPRM1TMEM97SIGMAR1BCHE
Hydrochloric Acid SCHEMBL11273784 0.85 ACHE (0.56) ACHEOPRM1TMEM97SIGMAR1BCHE
Hydrochloric Acid SCHEMBL11277173 0.83 ACHE (0.54) ACHEOPRM1TMEM97SIGMAR1KMT2A
SCHEMBL11286397 0.82 ACHE (0.50) ACHETMEM97SIGMAR1KMT2AHDAC1
SCHEMBL17688511 0.80 ACHE (0.52) ACHEKMT2ABCHEKDM4EALDH1A1
SCHEMBL13889650 0.79 KMT2A (0.55) ACHEKMT2ABCHEKDM4EALDH1A1

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-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed