SCHEMBL12475691

SCHEMBL12475691

Brc1cnc(Oc2ccc(OC3CCCC3)cc2Br)s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.43
ACACA Q13085 3/20 0.38
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
ABL1 P00519 2/20 0.35
LNPEP Q9UIQ6 1/20 0.33
HIF1A Q16665 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
PDE4D Q08499 2/20 0.32
GAK O14976 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12475401 0.88 ACACB (0.55) ACACBACACAABL1
SCHEMBL12476070 0.88 ACACB (0.44) ACACBACACAPDGFRBPDGFRAABL1
SCHEMBL12476048 0.84 ACACB (0.49) ACACBACACAABL1
SCHEMBL12475857 0.75 ACACB (0.46) ACACBACACA
SCHEMBL12475958 0.75 ACACB (0.38) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL12476251 0.74 ACACB (0.43) ACACBACACA
SCHEMBL21772397 0.71 SNCA (0.30)
SCHEMBL5943172 0.70 HAO1 (0.46) ACACBACACAHIF1AKMT2A
SCHEMBL5943020 0.69 HAO1 (0.48) ACACBACACAHIF1AKMT2A
SCHEMBL12476390 0.69 ACACB (0.46) ACACBACACALNPEP

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-2012090219-A2 THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS JUBILANT BIOSYS LTD. (IN) 2012-07-05 WO disclosed