SCHEMBL27654071

SCHEMBL27654071

[CH2]C(O)c1cccc(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SRC P12931 1/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CYP2A6 P11509 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PTGS2 P35354 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BRD4 O60885 1/20 0.36
PGK1 P00558 2/20 0.35
PGK2 P07205 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
TYR P14679 1/20 0.33
NAT1 P18440 1/20 0.33

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
SCHEMBL4073513 0.83 UNG (0.48) UNGALDH1A1SRCTRIM24TRIM33
SCHEMBL2937253 0.83 ALDH1A1 (0.48) UNGALDH1A1SRCTRIM24TRIM33
SCHEMBL8127721 0.81 UNG (0.43) UNGALDH1A1SRCTRIM24TRIM33
SCHEMBL2642178 0.78 UNG (0.48) UNGALDH1A1SRCTRIM24TRIM33
SCHEMBL30265731 0.77 LMNA (0.55) UNGALDH1A1SRCTRIM24TRIM33
SCHEMBL27346087 0.77 ALDH5A1 (0.44) UNGALDH1A1SRCTRIM24TRIM33
SCHEMBL27555156 0.76 ALDH1A1 (0.41) UNGALDH1A1SRCTRIM24TRIM33
SCHEMBL21310006 0.76 UNG (0.42) UNGALDH1A1SRCTRIM24TRIM33
SCHEMBL727874 0.75 TYR (0.56) UNGALDH1A1SRCTRIM24TRIM33
SCHEMBL4950119 0.75 ALDH1A1 (0.48) UNGALDH1A1SRCTRIM24TRIM33

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
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed