SCHEMBL28436296

SCHEMBL28436296

CCCC(C)(OOC(C)(C)C)C(CC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
CA1 P00915 1/20 0.31
LMNA P02545 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
SCHEMBL339957 0.77 TSHR (0.33) CA2MAPK1HSD17B10MEN1HPGD
SCHEMBL7788763 0.74 CA2 (0.31) CA2MAPK1HSD17B10MEN1HPGD
SCHEMBL7950017 0.74 CHRM1 (0.36) CA2MAPK1HSD17B10MEN1HPGD
SCHEMBL31457230 0.72 CA2 (0.54) CA2MAPK1MEN1KMT2ACA1
SCHEMBL11668392 0.71 CA2 (0.46) CA2MAPK1HSD17B10MEN1HPGD
SCHEMBL11605875 0.71 TSHR (0.35) MAPK1
2-Ethylhexanoic Acid SCHEMBL1208050 0.70 CA2 (0.77) CA2MAPK1MEN1KMT2ACA1
SCHEMBL11668371 0.70 TDP1 (0.40) CA2MAPK1HSD17B10MEN1HPGD
SCHEMBL29140123 0.70 TDP1 (0.40) CA2MAPK1HSD17B10MEN1HPGD
2-Ethylhexanoic Acid SCHEMBL5698808 0.70 CA2 (0.77) CA2MAPK1MEN1KMT2ACA1

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-104788926-B Polyalkylene carbonate resin composition SK新技术株式会社 2020-07-24 CN disclosed