SCHEMBL2363899

SCHEMBL2363899

CCCCCCCCCCCCCCC(C)C(O)([C@@H](O)CO)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.39
ALDH1A1 P00352 3/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
SPHK1 Q9NYA1 2/20 0.35
SPHK2 Q9NRA0 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.34
CYP2D6 P10635 3/20 0.34
SOAT1 P35610 2/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIN1 Q05586 4/20 0.33
GRIN2A Q12879 4/20 0.33
GRIN2D O15399 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN2B Q13224 2/20 0.33
ASAH1 Q13510 1/20 0.33
ACER2 Q5QJU3 1/20 0.33

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
SCHEMBL2363953 0.76 MEN1 (0.41) CSNK1EMEN1KMT2A
Hydrogen Peroxide SCHEMBL9456660 0.73 ALDH1A1 (0.46) CSNK1EALDH1A1MEN1KMT2ACYP2D6
SCHEMBL11411634 0.71 MEN1 (0.45) CSNK1EALDH1A1SPHK1SPHK2MEN1
SCHEMBL7616178 0.71 ALDH1A1 (0.43) CSNK1EALDH1A1MEN1KMT2AHTT
SCHEMBL27556298 0.70 CSNK1E (0.38) CSNK1EALDH1A1MEN1KMT2ACYP2D6
SCHEMBL20717915 0.70 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL12605621 0.70 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL27517561 0.70 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP2D6CYP2C19
SCHEMBL12605622 0.70 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL8666513 0.69 CSNK1E (0.42) CSNK1EALDH1A1ASAH1BLM

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
EP-2348866-A1 OXIDIZED LIPID COMPOUNDS AND USES THEREOF Vascular Biogenics Ltd. (IL) 2011-08-03 EP disclosed
WO-2010052718-A1 OXIDIZED LIPID COMPOUNDS AND USES THEREOF VASCULAR BIOGENICS LTD. (IL) 2010-05-14 WO disclosed