SCHEMBL28089585

SCHEMBL28089585

NC(CCCCCO)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KIF11 P52732 12/20 0.38
CSNK1E P49674 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
KCNN4 O15554 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
SCHEMBL27914480 0.84 KIF11 (0.46) KIF11
SCHEMBL529077 0.84 KIF11 (0.46) KIF11
SCHEMBL11290864 0.80 KDM4E (0.33) KDM4ELMNAMAPK1KIF11CSNK1E
SCHEMBL7993168 0.80 CSNK1E (0.45) KDM4ELMNAMAPK1KIF11CSNK1E
SCHEMBL2390381 0.79 HRH1 (0.50) KDM4ELMNAMAPK1KIF11
Acetic Acid SCHEMBL30066547 0.79 CPB2 (0.41) KIF11
SCHEMBL29788858 0.78 KIF11 (0.41) KDM4ELMNAMAPK1KIF11CSNK1E
SCHEMBL6655141 0.77 KDM4E (0.46) KDM4ELMNAMAPK1KIF11KCNN4
SCHEMBL569409 0.75 HRH1 (0.46) KDM4ELMNAMAPK1KIF11KCNN4
SCHEMBL914102 0.73 KDM4E (0.39) KDM4ELMNAMAPK1KIF11TDP1

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-104684921-B Linker molecules for the light cleavable with diaryl sulfide skeleton that temporary bioconjugates synthesizes 文塔纳医疗系统公司 2016-09-28 CN disclosed