SCHEMBL3721110

SCHEMBL3721110

Oc1ccc(OC2CCCCC2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
CSNK2A1 P68400 2/20 0.40
PDE4A P27815 4/20 0.38
PDE4D Q08499 3/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL3723725 0.98 CSNK2A1 (0.41) THRATHRBKMT2AMEN1NPY1R
SCHEMBL21190896 0.80 THRA (0.49) THRATHRBKMT2AMEN1NPY1R
SCHEMBL20384189 0.79 HPGD (0.43) KMT2AMEN1NPY1RNPY2RCSNK2A1
SCHEMBL20384187 0.79 CSNK2A1 (0.43) THRATHRBKMT2AMEN1NPY1R
SCHEMBL20384188 0.79 KMT2A (0.40) THRATHRBKMT2AMEN1NPY1R
SCHEMBL3724558 0.79 CSNK2A1 (0.58) CSNK2A1PDE4APDE4DPDE4BPDE4C
SCHEMBL12355729 0.79 KMT2A (0.50) THRATHRBKMT2AMEN1NPY1R
SCHEMBL20021966 0.77 CSNK2A1 (0.44) KMT2AMEN1NPY1RNPY2RCSNK2A1
SCHEMBL3724488 0.77 CSNK2A1 (0.59) CSNK2A1PDE4APDE4DPDE4BPDE4C
SCHEMBL16335376 0.77 PKM (0.42) KMT2AMEN1NPY1RNPY2RCSNK2A1

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed