SCHEMBL28668648

SCHEMBL28668648

CCCCC(CC(C)C)OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.50
CA2 P00918 2/20 0.39
MAPK1 P28482 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
PLA2G10 O15496 2/20 0.37
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
LMNA P02545 2/20 0.36
CA1 P00915 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
PLA2G2A P14555 2/20 0.35
PLA2G5 P39877 2/20 0.35

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
SCHEMBL1837070 0.86 CA2 (0.46) CTSKCA2MAPK1SLC1A3SLC1A2
SCHEMBL1939836 0.85 CTSK (0.40) CTSKCA2MAPK1PRKCAPRKCD
SCHEMBL7053522 0.82 SLC1A3 (0.38) CTSKSLC1A3SLC1A2SLC1A1CA1
SCHEMBL608475 0.82 PRKCA (0.50) CTSKCA2MAPK1PRKCAPRKCD
SCHEMBL1835395 0.82 GPR84 (0.47) CTSKCA2MAPK1CA1ACE2
SCHEMBL1836821 0.82 CTSK (0.50) CTSKCA2MAPK1SLC1A3SLC1A2
SCHEMBL10768648 0.81 MAPK1 (0.56) CTSKMAPK1PRKCAPRKCDLMNA
SCHEMBL10498619 0.81 HCAR2 (0.50) CTSKACHEBACE1
SCHEMBL10498624 0.81 HCAR2 (0.50) CTSKACHEBACE1
SCHEMBL1837203 0.80 GPR84 (0.50) CA2MAPK1LMNAACE2

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
CN-113795963-A Carbonate solvents for non-aqueous electrolytes for metal and metal ion batteries 斯塞法国公司 2021-12-14 CN disclosed
CN-109415452-B Method for producing highly reactive isobutene homo-or copolymers 巴斯夫欧洲公司 2021-10-26 CN disclosed