SCHEMBL11113049

SCHEMBL11113049

COC(=O)Oc1ccc(CC2CCCCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.43
ACACA Q13085 1/20 0.42
BRS3 P32247 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
GCK P35557 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL11049864 0.78 MAPK1 (0.49) TDP1GCKHPGD
SCHEMBL11112280 0.77 ACACB (0.41) ACACB
SCHEMBL11114865 0.77 CHRM2 (0.41) ACACB
SCHEMBL11113046 0.74 HRH3 (0.50) TDP1
SCHEMBL11114098 0.74 HRH3 (0.50) TDP1
SCHEMBL30454093 0.74 KDM1A (0.46) ACACB
SCHEMBL11114735 0.72 ALDH1A1 (0.54) ACACBTDP1HPGD
SCHEMBL27211090 0.72 ALDH1A1 (0.45) TDP1GCK
SCHEMBL11059897 0.72 KDM4E (0.56) BRS3TDP1
SCHEMBL11045319 0.72 KDM4E (0.56) BRS3TDP1

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-0123700-A1 Substituted picolinic acids, processes for their preparation, their use, and pharmaceutical preparations containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-07 EP disclosed