SCHEMBL8743153

SCHEMBL8743153

C=CC(=O)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.47
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
AKT1 P31749 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BCL2A1 Q16548 1/20 0.40

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
SCHEMBL28470557 0.86 HSD11B1 (0.50) GSTO1LMNATDP1GAAAKT1
SCHEMBL29155492 0.84 AKT1 (0.43) GSTO1LMNANPC1RAB9ACA12
SCHEMBL295841 0.84 LMNA (0.53) GSTO1LMNANPC1RAB9ATDP1
SCHEMBL11124841 0.81 ALOX5 (0.47) NPC1RAB9ATDP1
SCHEMBL6647621 0.81 LMNA (0.57) LMNANPC1RAB9ACA12CA9
SCHEMBL13198360 0.81 GSTO1 (0.47) GSTO1LMNANPC1RAB9ACA12
SCHEMBL28159112 0.81 ALOX5 (0.50) GSTO1NPC1RAB9ACA12CA9
SCHEMBL29155484 0.81 TRPM8 (0.41) GSTO1LMNATRPM8AKT1ALDH1A1
SCHEMBL491378 0.79 NPC1 (0.65) NPC1RAB9ACA12CA9ALDH1A1
SCHEMBL16847369 0.79 MEN1 (0.47) GSTO1NPC1RAB9ATDP1ALDH1A1

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
EP-0751119-A1 A process for preparing acryloyl carbamates or ureas DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-01-02 EP disclosed