SCHEMBL18965258

SCHEMBL18965258

CCCC(C)(C)C(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PLA2G4B P0C869 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
SCHEMBL943564 0.76 ALDH1A1 (0.31) MEN1KMT2AALDH1A1
SCHEMBL14190510 0.74 HRH3 (0.40) MEN1KMT2ATDP1ALDH1A1HSD17B10
SCHEMBL7048627 0.73 MEN1 (0.35) MEN1KMT2ATDP1NAALAD2
SCHEMBL21131771 0.72 KDM4E (0.30)
SCHEMBL24136291 0.71 PLA2G2C (0.31) ALDH1A1PLA2G4B
SCHEMBL19541808 0.71 ALDH1A1 (0.34) ALDH1A1
SCHEMBL14474311 0.70 PHF8 (0.31)
SCHEMBL21286081 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL19379975 0.70 PHF8 (0.32)
SCHEMBL14343085 0.70 ALDH1A1 (0.35) ALDH1A1

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
WO-2017100461-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING AN AUXILIARY MOIETY NON-BIOREVERSIBLY LINKED TO AN INTERNUCLEOSIDE PHOSPHATE OR PHOSPHOROTHIOATE SOLSTICE BIOLOGICS, LTD. (IE) 2017-06-15 WO disclosed