SCHEMBL1218882

SCHEMBL1218882

CCCCOC(=O)C(CCCCCCC(C)C)(CCCCCCC(C)C)C(CC(=O)O)(OC(C)=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HSPD1 P10809 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3834336 0.77 NAAA (0.38) ALDH1A1
SCHEMBL15252843 0.77 LMNA (0.38) ALDH1A1BLMMEN1KMT2ANPSR1
SCHEMBL17995609 0.76 HSPD1 (0.40) HSPD1BLMHSPE1MEN1KMT2A
SCHEMBL17995890 0.76 HSPD1 (0.40) HSPD1BLMHSPE1MEN1KMT2A
SCHEMBL1919940 0.76 ALDH1A1 (0.36) ALDH1A1HSPD1BLMHSPE1GAA
SCHEMBL709192 0.73 FFAR1 (0.34) HSPD1BLMHSPE1
SCHEMBL689041 0.73 FFAR1 (0.34) HSPD1BLMHSPE1
SCHEMBL5180259 0.73 FFAR1 (0.34) HSPD1BLMHSPE1
SCHEMBL101151 0.73 FFAR1 (0.34) HSPD1BLMHSPE1
SCHEMBL3670787 0.73 FFAR1 (0.34) HSPD1BLMHSPE1

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
US-8431638-B2 Citric ester mixtures and their use EVONIK OXENO GMBH (DE) 2013-04-30 US disclosed
US-20110046283-A1 CITRIC ESTER MIXTURES AND THEIR USE EVONIK OXENO GMBH (DE) 2011-02-24 US disclosed