SCHEMBL23004641

SCHEMBL23004641

C=C(C)Cn1c(=O)n(CC)c(=O)n(CC(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 3/20 0.41
RGS8 P57771 2/20 0.41
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA1 P30542 1/20 0.32
TNF P01375 1/20 0.32
LITAF Q99732 1/20 0.32
PDE5A O76074 1/20 0.31

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
SCHEMBL17537354 0.93 HTT (0.39) RGS4RGS8SIRT1SIRT3SIRT5
SCHEMBL17537379 0.93 HTT (0.39) RGS4RGS8SIRT1SIRT3SIRT5
SCHEMBL22899016 0.87 HTT (0.41) HTTALDH1A1ADORA2AADORA2BTSHR
SCHEMBL22899017 0.87 HTT (0.41) HTTALDH1A1ADORA2AADORA2BTSHR
SCHEMBL20392162 0.83 RGS4 (0.53) RGS4RGS8SIRT1SIRT3SIRT5
SCHEMBL18927853 0.82 RGS4 (0.41) RGS4RGS8HTTALDH1A1ADORA2A
SCHEMBL295471 0.79 HTT (0.46) HTTALDH1A1TSHRHSD17B10TDP1
SCHEMBL24404192 0.78 B3GNT2 (0.38) RGS4RGS8SIRT1SIRT3SIRT5
SCHEMBL24404215 0.76 RGS4 (0.41) RGS4RGS8HTTADORA2AADORA2B
SCHEMBL11429505 0.74 RGS4 (0.50) RGS4RGS8SIRT1SIRT3SIRT5

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-3780226-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2022-05-11 EP disclosed
EP-3780226-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2021-02-17 EP disclosed