SCHEMBL14036620

SCHEMBL14036620

Cc1ccc(C(C)C)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.45
KDM4A O75164 1/20 0.43
ACHE P22303 5/20 0.43
BCHE P06276 4/20 0.43
TRPV1 Q8NER1 2/20 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
SCHEMBL20251142 0.88 KCNA5 (0.46) KCNA5KDM4AACHEBCHETRPV1
SCHEMBL13091273 0.86 GLS (0.44) KCNA5KDM4ATRPV1
SCHEMBL23833321 0.84 KCNA5 (0.43) KCNA5KDM4ATRPV1
SCHEMBL30193003 0.84 KCNA5 (0.43) KCNA5KDM4ATRPV1
SCHEMBL23833131 0.84 TRPV1 (0.52) KCNA5KDM4ATRPV1
SCHEMBL30193479 0.84 TRPV1 (0.52) KCNA5KDM4ATRPV1
SCHEMBL5015072 0.82 NPC1 (0.54) KCNA5KDM4A
SCHEMBL6921464 0.80 IDO1 (0.50) KCNA5KDM4A
SCHEMBL8011978 0.80 AAK1 (0.47) KCNA5KDM4A
SCHEMBL654820 0.80 KDM4A (0.45) KCNA5KDM4A

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
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed