SCHEMBL4729618

SCHEMBL4729618

NC(=O)CC(=O)N(Cc1ccco1)Cc1ccco1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
MAPT P10636 3/20 0.53
TP53 P04637 3/20 0.50
POLB P06746 3/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL17801532 0.84 ALOX5 (0.55) ALOX5MAPTTP53POLBHDAC1
SCHEMBL28009432 0.84 ALOX5 (0.55) ALOX5MAPTTP53POLB
SCHEMBL25239501 0.79 ALOX5 (0.62) ALOX5MAPTTP53POLB
SCHEMBL21393181 0.77 MAPK1 (0.66) ALOX5MAPTTP53POLB
SCHEMBL27867316 0.75 ALOX5 (0.56) ALOX5MAPTTP53POLB
SCHEMBL19712891 0.75 GAA (0.43) ALOX5MAPTPOLB
SCHEMBL2834886 0.75 ALOX5 (0.56) ALOX5MAPTTP53POLBHDAC1
SCHEMBL8808956 0.74 ALOX5 (1.00) ALOX5MAPTTP53
SCHEMBL6824498 0.73 ALOX5 (0.58) ALOX5MAPTTP53POLB
SCHEMBL28226212 0.73 TRPM8 (0.67) ALOX5MAPTTP53POLBTRPM8

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
JP-2008088126-A FURYLMETHYLENE MALONAMIDE COMPOUND AND SALT THEREOF, ULTRAVIOLET LIGHT ABSORBER AND EXTERNAL PREPARATION FOR SKIN SHISEIDO CO LTD 2008-04-17 JP disclosed
WO-2008041525-A1 FURYLMETHYLENE MALONAMIDE COMPOUND AND SALT THEREOF, ULTRAVIOLET RAY ABSORBENT, AND EXTERNAL PREPARATION FOR SKIN SHISEIDO COMPANY LTD. (JP) 2008-04-10 WO disclosed