SCHEMBL28548866

SCHEMBL28548866

CC(CCCCCC(=O)OCCO)OCC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
DUSP3 P51452 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.52
DGKA P23743 2/20 0.46
MAPT P10636 1/20 0.41
CNR2 P34972 4/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 4/20 0.39
PRKCA P17252 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL28272843 0.84 KDM4E (0.54) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL11228898 0.83 KDM4E (0.49) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL28554498 0.83 LMNA (0.63) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL28942531 0.83 LMNA (0.63) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL28349043 0.82 KDM4E (0.51) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL5136440 0.82 KDM4E (0.51) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL28104644 0.82 KDM4E (0.70) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL7203853 0.81 KDM4E (0.57) KDM4EDUSP3MEN1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL27611816 0.81 KDM4E (0.68) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL3975357 0.80 KDM4E (0.67) KDM4EDUSP3MEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108403932-B Traditional Chinese medicine compound external preparation for treating hormone-dependent dermatitis and preparation method and application thereof 王文萱 2021-03-30 CN claimed
CN-109260030-B Micelle composition and preparation method and application thereof 昌正医疗(苏州)有限公司 2021-11-02 CN disclosed
CN-108403932-B Traditional Chinese medicine compound external preparation for treating hormone-dependent dermatitis and preparation method and application thereof 王文萱 2021-03-30 CN disclosed