SCHEMBL11084158

SCHEMBL11084158

CC(=O)OC(CCc1ccccc1)(C(N)=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KIF11 P52732 1/20 0.41
LMNA P02545 2/20 0.40
PTGS2 P35354 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
CYP2D6 P10635 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
AKR1B10 O60218 1/20 0.36

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
SCHEMBL11079669 0.78 MAPT (0.37) ALDH1A1MAPTKMT2AKIF11LMNA
Piperazine SCHEMBL10994605 0.77 KMT2A (0.39) ALDH1A1MAPTKMT2AKIF11LMNA
SCHEMBL8459554 0.75 ALDH1A1 (0.44) ALDH1A1OPRM1CYP2D6CHRM1CHRM3
SCHEMBL10994601 0.75 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ALMNAOPRM1
SCHEMBL873380 0.74 ALDH1A1 (0.48) ALDH1A1MAPTKMT2APTGS2KEAP1
SCHEMBL4560574 0.73 MAPT (0.52) ALDH1A1MAPTKMT2AKIF11LMNA
SCHEMBL4558956 0.73 KIF11 (0.46) ALDH1A1MAPTKMT2AKIF11LMNA
SCHEMBL6803588 0.72 HDAC3 (0.50) ALDH1A1MAPTKMT2AKIF11LMNA
SCHEMBL23256417 0.72 MAPT (0.46) MAPTKMT2AKIF11CHRM1CYP2C19
SCHEMBL5617129 0.72 KIF11 (0.44) MAPTKMT2AKIF11LMNACYP2D6

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-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed