SCHEMBL30396753

SCHEMBL30396753

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.30
PRKCA P17252 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
SCHEMBL30395999 0.93 MMP8 (0.33) MMP8HPGDHTT
SCHEMBL30396291 0.90 ALDH1A1 (0.40) HPGDHTTTDP1
SCHEMBL23907058 0.89 MMP8 (0.45) MMP8HPGDHTT
SCHEMBL30396133 0.83 PRKCA (0.44) MMP8PRKCA
SCHEMBL28056970 0.80 LMNA (0.39) PRKCA
SCHEMBL13785298 0.80 ALDH1A1 (0.36) PRKCA
SCHEMBL2850663 0.78 ALDH1A1 (0.40)
SCHEMBL34465236 0.77 MEN1 (0.33) TDP1
SCHEMBL37688 0.76 TSHR (0.39)
SCHEMBL20089042 0.76 ACACB (0.34)

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-115717059-A Ester composition for liquid-cooled cooling liquid, liquid-cooled cooling liquid and preparation method of liquid-cooled cooling liquid 纯钧新材料(深圳)有限公司 2023-02-28 CN disclosed