SCHEMBL29148759

SCHEMBL29148759

O=C(O)/C=C/C(=O)OC(=O)CCCC(=O)OC(=O)/C=C/C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.45
TSHR P16473 4/20 0.41
TP53 P04637 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
LMNA P02545 1/20 0.31
ATM Q13315 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
SCHEMBL6150290 0.95 HCAR2 (0.45) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL15260447 0.95 HCAR2 (0.45) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL5681276 0.93 HCAR2 (0.44) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL5064772 0.91 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9749521 0.91 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL29222103 0.88 HCAR2 (0.46) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL29074633 0.86 HCAR2 (0.58) HCAR2TSHRALDH1A1SLC22A6LMNA
SCHEMBL8030996 0.86 HCAR2 (0.38) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL4012514 0.85 HCAR2 (0.59) HCAR2TSHRALDH1A1TDP1SLC22A6
SCHEMBL668235 0.85 HCAR2 (0.59) HCAR2TSHRALDH1A1TDP1SLC22A6

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-117242054-A dimethyl-C 17-32 Synthesis of alkyl sulfonium salts 汉姆股份公司 2023-12-15 CN disclosed