SCHEMBL529917

SCHEMBL529917

COc1c(C(N)=O)ccc(C)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.47
PDE4B Q07343 6/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
BCAT2 O15382 1/20 0.43
BRD4 O60885 1/20 0.43
NNMT P40261 1/20 0.41
KDM4E B2RXH2 2/20 0.40
FABP4 P15090 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 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
SCHEMBL530231 0.83 MKNK1 (0.43) BCAT2BRD4KDM4EMEN1KMT2A
SCHEMBL18816709 0.80 IKBKB (0.53) IKBKBPDE4BPDE4APDE4CPDE4D
SCHEMBL529871 0.80 BCAT2 (0.48) IKBKBBCAT2BRD4KDM4EFABP4
SCHEMBL9765827 0.79 MAPT (0.49) IKBKBPDE4BPDE4APDE4CPDE4D
SCHEMBL18641956 0.79 IKBKB (0.52) IKBKBPDE4BPDE4APDE4CPDE4D
SCHEMBL6645354 0.79 NNMT (0.49) IKBKBNNMTKDM4EMEN1KMT2A
SCHEMBL531530 0.79 IKBKB (0.49) IKBKBPDE4BPDE4APDE4CPDE4D
SCHEMBL27475690 0.78 BCAT2 (0.47) IKBKBBCAT2BRD4KDM4EFABP4
SCHEMBL529885 0.77 DHODH (0.46) IKBKBBCAT2BRD4KDM4EFABP4
SCHEMBL28471955 0.77 BCAT2 (0.46) IKBKBBCAT2BRD4KDM4EFABP4

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-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed