SCHEMBL12329324

SCHEMBL12329324

Cc1cc(Cl)cc(Cl)c1C1=C(O)C2(CCCC(O)C2)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.40
ACACA Q13085 11/20 0.40
PDE7A Q13946 1/20 0.33
CES1 P23141 2/20 0.32
SLC6A3 Q01959 3/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL12329323 0.87 ACACB (0.47) ACACBACACAPDE7ASLC6A3SLC6A4
SCHEMBL15489232 0.85 ACACB (0.43) ACACBACACAPDE7ACES1KMT2A
SCHEMBL732782 0.83 ACACB (0.52) ACACBACACA
SCHEMBL12214972 0.82 ACACB (0.53) ACACBACACACES1
SCHEMBL12329322 0.81 ACACB (0.47) ACACBACACACES1SLC6A3SLC6A4
SCHEMBL16556748 0.80 ACACB (0.49) ACACBACACACES1
SCHEMBL13940440 0.79 ACACB (0.43) ACACBACACAPDE7ACES1KMT2A
SCHEMBL15489227 0.78 ACACB (0.46) ACACBACACAPDE7ACES1KMT2A
SCHEMBL15472956 0.78 ACACB (0.44) ACACBACACAPDE7ACES1
SCHEMBL12461726 0.78 ACACB (0.64) ACACBACACACES1

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
EP-1761490-B1 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2011-09-07 EP disclosed