SCHEMBL531530

SCHEMBL531530

COc1cc(C(N)=O)c(OC)c(-c2ccccc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.49
BRD4 O60885 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41

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
SCHEMBL18816709 0.81 IKBKB (0.53) IKBKBBRD4MKNK1MKNK2PDE4A
SCHEMBL529977 0.81 FABP4 (0.46) IKBKBBRD4MKNK1MKNK2HTT
SCHEMBL31653573 0.81 FABP4 (0.46) IKBKBBRD4MKNK1MKNK2HTT
SCHEMBL529917 0.79 IKBKB (0.47) IKBKBBRD4MKNK1MKNK2PDE4A
SCHEMBL18816703 0.79 IKBKB (0.48) IKBKBBRD4PDE4APDE4BPDE4C
SCHEMBL9765827 0.78 MAPT (0.49) IKBKBMKNK1MKNK2PDE4APDE4B
SCHEMBL529975 0.78 FABP3 (0.49) IKBKBBRD4MKNK1MKNK2HTT
SCHEMBL18816717 0.77 IKBKB (0.58) IKBKBBRD4PDE4APDE4BPDE4C
SCHEMBL27635473 0.76 ALDH1A1 (0.52) IKBKBBRD4MKNK1MKNK2TUBB4A
SCHEMBL14610813 0.75 IKBKB (0.63) IKBKBBRD4PDE4B

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