SCHEMBL9850370

SCHEMBL9850370

CCC(C)(C)C(CCCCCCCC(=O)OO)(C(=O)OO)C(C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NAAA Q02083 2/20 0.32
LMNA P02545 2/20 0.32
PAM P19021 2/20 0.31
CES2 O00748 3/20 0.31
CES1 P23141 3/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL1960546 1.00 DGKA (0.33) DGKACYP4F2CYP4A11NAAALMNA
SCHEMBL1960543 0.87 PAM (0.34) DGKANAAALMNAPAMGAA
SCHEMBL124024 0.85 DGKA (0.32) DGKACYP4F2CYP4A11NAAALMNA
SCHEMBL10946598 0.85 DGKA (0.32) DGKACYP4F2CYP4A11NAAALMNA
SCHEMBL10353509 0.79 ALDH1A1 (0.37) LMNA
SCHEMBL10728403 0.79 ALDH1A1 (0.37) LMNA
SCHEMBL10725123 0.79 ALDH1A1 (0.37) LMNA
SCHEMBL10723547 0.79 ALDH1A1 (0.37) LMNA
SCHEMBL3679849 0.79
SCHEMBL2080192 0.78 TSHR (0.32)

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
EP-0444604-A2 Crosslinking of fluorrubber via crosslinking initiators not forming any methyl- or phenyl-radicals Elf Atochem Deutschland GmbH (DE) 1991-09-04 EP disclosed