SCHEMBL28299569

SCHEMBL28299569

CCC(CC(C)=O)CC(CC)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TRPA1 O75762 1/20 0.32
CA2 P00918 2/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL8470160 0.88
SCHEMBL14269784 0.87 ALDH1A1 (0.52) ALDH1A1TDP1CA2SLC1A3SLC1A2
SCHEMBL16349048 0.80 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL18576430 0.79
SCHEMBL8290202 0.79
SCHEMBL20225964 0.79 TDP1 (0.42) ALDH1A1TDP1CA2
SCHEMBL2077448 0.79 TDP1 (0.42) ALDH1A1TDP1CA2
SCHEMBL8055157 0.79 TDP1 (0.42) ALDH1A1TDP1
SCHEMBL2078015 0.79 TDP1 (0.42) ALDH1A1TDP1CA2
SCHEMBL8840629 0.78 ALDH1A1 (0.59) ALDH1A1TDP1TRPA1CA2

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-109791977-A Associated electrical construction of switch and application ARM有限公司 2019-05-21 CN disclosed