SCHEMBL3925908

SCHEMBL3925908

[CH2]c1cc(OC(C)=O)cc(C)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 4/20 0.41
KDM4E B2RXH2 5/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
ACHE P22303 1/20 0.40
ELANE P08246 2/20 0.39
CYP19A1 P11511 1/20 0.38
GLA P06280 3/20 0.38
GAA P10253 3/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 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
SCHEMBL204814 0.87 LMNA (0.48) MAPTPOLBPKMLMNAKDM4E
SCHEMBL23601757 0.77 ALOX5 (0.46) MAPTLMNAKDM4ECYP3A4KMT2A
SCHEMBL203680 0.77 ALDH1A1 (0.43) MAPTPOLBPKMLMNAKDM4E
SCHEMBL25612185 0.76 LMNA (0.39) MAPTPOLBPKMLMNAKDM4E
SCHEMBL205239 0.75 CA2 (0.45) MAPTPOLBPKMLMNAKDM4E
SCHEMBL27788647 0.75 LMNA (0.38) MAPTPOLBPKMLMNAKDM4E
SCHEMBL6364662 0.74 LMNA (0.52) MAPTPOLBPKMLMNAKDM4E
SCHEMBL3688841 0.72 LMNA (0.50) MAPTPOLBPKMLMNAKDM4E
SCHEMBL23809728 0.72 BACE1 (0.52) MAPTPOLBPKMLMNAKDM4E
SCHEMBL1513505 0.72 ACHE (0.56) MAPTPOLBPKMLMNAKDM4E

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-2041123-A2 FUSED CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-01 EP disclosed
WO-2008001931-A2 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-03 WO disclosed