SCHEMBL3724488

SCHEMBL3724488

Oc1ccc(OC2CCCC2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.59
KMO O15229 8/20 0.48
RORC P51449 1/20 0.48
HPGD P15428 1/20 0.46
PDE4D Q08499 4/20 0.44
PDE4A P27815 4/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
HSD17B10 Q99714 1/20 0.42
SCN9A Q15858 1/20 0.39

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
SCHEMBL3724558 0.98 CSNK2A1 (0.58) CSNK2A1KMORORCHPGDPDE4D
SCHEMBL17253047 0.93 RORC (0.54) CSNK2A1KMORORCHPGDPDE4D
SCHEMBL22816048 0.86 CSNK2A1 (0.47) CSNK2A1KMORORCPDE4DPDE4A
SCHEMBL22816167 0.84 CSNK2A1 (0.46) CSNK2A1KMOHPGDPDE4DPDE4A
SCHEMBL22815971 0.82 CSNK2A1 (0.44) CSNK2A1KMORORCPDE4DPDE4A
SCHEMBL3723725 0.79 CSNK2A1 (0.41) CSNK2A1PDE4DPDE4APDE4BPDE4C
SCHEMBL13349984 0.79 CSNK2A1 (0.64) CSNK2A1KMORORCHPGDPDE4D
SCHEMBL12908030 0.79 CSNK2A1 (0.59) CSNK2A1KMORORCHPGDPDE4D
SCHEMBL2419182 0.79 CSNK2A1 (0.59) CSNK2A1KMORORCHPGD
SCHEMBL27478491 0.79 CSNK2A1 (0.59) CSNK2A1KMORORCHPGDSCN9A

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