SCHEMBL29066474

SCHEMBL29066474

COC(C)(O)C(C)CCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
CDC25B P30305 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
SCHEMBL6843197 0.77 TSHR (0.33)
SCHEMBL29040577 0.74 LMNA (0.46) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL1394321 0.72
SCHEMBL20609995 0.71 LMNA (0.48) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL8306636 0.70 CYP3A4 (0.40) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL8909436 0.68 LMNA (0.52) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL8909426 0.68 LMNA (0.52) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL15825970 0.68 LMNA (0.52) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL17268254 0.68 LMNA (0.52) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL10834300 0.68 LMNA (0.52) MEN1CYP3A4ALOX15KMT2ALMNA

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-115427421-A 3' -ketoside compounds with slow release of volatile alcohols 格莱克科学有限公司 2022-12-02 CN claimed
CN-115427421-A 3' -ketoside compounds with slow release of volatile alcohols 格莱克科学有限公司 2022-12-02 CN disclosed