SCHEMBL8973585

SCHEMBL8973585

CCCCCCCCCCCCCCCCOC(=O)NC(CCCCCCCCC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 8/20 0.55
EPHX1 P07099 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
ACHE P22303 6/20 0.49
SLC6A5 Q9Y345 1/20 0.46

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
SCHEMBL3629433 0.97 NOD1 (0.53) NOD1EPHX1SIRT2SIRT1ACHE
SCHEMBL3625936 0.95 NOD1 (0.50) NOD1EPHX1SIRT2SIRT1SLC6A5
SCHEMBL30915502 0.93 SLC6A5 (0.56) NOD1EPHX1SIRT2SIRT1SLC6A5
SCHEMBL7803299 0.93 SLC6A5 (0.56) NOD1EPHX1SIRT2SIRT1SLC6A5
SCHEMBL7804980 0.93 SLC6A5 (0.56) NOD1EPHX1SIRT2SIRT1SLC6A5
SCHEMBL7797291 0.93 SLC6A5 (0.56) NOD1EPHX1SIRT2SIRT1SLC6A5
SCHEMBL7804955 0.93 SLC6A5 (0.56) NOD1EPHX1SIRT2SIRT1SLC6A5
SCHEMBL19651520 0.92 ACHE (0.60) NOD1SIRT2SIRT1ACHE
SCHEMBL12737546 0.92 ACHE (0.60) NOD1SIRT2SIRT1ACHE
SCHEMBL12737529 0.92 ACHE (0.60) NOD1SIRT2SIRT1ACHE

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-0703217-A1 Fluorinated alkylesters containing a urethane group, their preparation their use as thickeners in non-aqueous media and media and compositions containing them L'OREAL (FR) 1996-03-27 EP disclosed