SCHEMBL11989433

SCHEMBL11989433

CCCCNC(=O)OCCOCCOC

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.76
ABCB11 O95342 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2B P18089 1/20 0.52
OPRD1 P41143 1/20 0.52
SCN5A Q14524 1/20 0.52
EPHX1 P07099 1/20 0.50

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
SCHEMBL15132643 1.00 ACHE (0.76) ACHEABCB11CYP3A4ADRA2BOPRD1
SCHEMBL16526224 1.00 ACHE (0.76) ACHEABCB11CYP3A4ADRA2BOPRD1
SCHEMBL14201320 0.95 ACHE (0.85) ACHEEPHX1
SCHEMBL10299296 0.91 ACHE (0.63) ACHEEPHX1
SCHEMBL16544803 0.89 ACHE (0.58) ACHEABCB11CYP3A4ADRA2BOPRD1
SCHEMBL28158857 0.88 ACHE (0.72) ACHEEPHX1
SCHEMBL8588602 0.87 ACHE (0.60) ACHE
SCHEMBL19107903 0.87 ACHE (0.68) ACHEEPHX1
SCHEMBL19107899 0.87 ACHE (0.68) ACHEEPHX1
SCHEMBL5248138 0.86 ACHE (0.80) ACHE

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
US-8247493-B2 Long acting formulation of biopharmaceutical POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2012-08-21 US disclosed