SCHEMBL3400197

SCHEMBL3400197

CCCCOC(=O)NCCCC(C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.60
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
EPHX2 P34913 2/20 0.47

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
SCHEMBL1912563 0.86 ACHE (0.58) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5774556 0.84 ACHE (0.60) ACHEEPHX2
SCHEMBL6247952 0.83 ACHE (0.58) ACHEEPHX2
SCHEMBL3629794 0.82 ACHE (0.51) ACHE
SCHEMBL9513038 0.81 ACHE (0.60) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7569673 0.81 ACHE (0.81) ACHEEPHX2
SCHEMBL10939707 0.81 ACHE (0.81) ACHEEPHX2
SCHEMBL3975468 0.81 ACHE (0.88) ACHEEPHX2
SCHEMBL14996209 0.81 ACHE (0.64) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13387437 0.79 ACHE (0.85) ACHEEPHX2

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
EP-2245009-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 5-BIPHENYL-4-YL-2-METHYLPENTANOIC ACID DERIVATIVES Novartis AG (CH) 2010-11-03 EP disclosed
WO-2009090251-A2 NEW PROCESSES NOVARTIS AG (CH) 2009-07-23 WO disclosed