SCHEMBL4645819

SCHEMBL4645819

CC(C)(Br)C=C(C(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
AKR1C3 P42330 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
SCHEMBL9956486 0.77 GRIK1 (0.40) ALDH1A1TSHR
SCHEMBL22092216 0.69
SCHEMBL5116954 0.67 NPSR1 (0.50) ALDH1A1
SCHEMBL5892080 0.65
SCHEMBL7101186 0.64 GRIK1 (0.36) TSHR
SCHEMBL27750009 0.63
SCHEMBL22811 0.63 GRIK1 (0.39) ALDH1A1TSHRAKR1C3
SCHEMBL27166 0.63 GRIK1 (0.39) ALDH1A1TSHRAKR1C3
SCHEMBL6571066 0.63 PTGS1 (0.36) ALDH1A1TSHRAKR1C3
SCHEMBL6571057 0.63 PTGS1 (0.36) ALDH1A1TSHRAKR1C3

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-1748043-B1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2008-08-20 EP disclosed
EP-1748043-A1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2007-01-31 EP disclosed