SCHEMBL8095959

SCHEMBL8095959

CCCCCCCCCCCCCCOC(=O)C(CCCCC)NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 7/20 0.54
EPHX1 P07099 1/20 0.47
NAAA Q02083 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.45
MAPT P10636 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
FAAH O00519 1/20 0.42
ACHE P22303 3/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL27752049 0.97 NOD1 (0.54) NOD1EPHX1NAAAHCAR2FAAH
SCHEMBL7901620 0.91 NOD1 (0.62) NOD1EPHX1NAAAZDHHC7
SCHEMBL7898225 0.91 NOD1 (0.62) NOD1EPHX1NAAAZDHHC7
SCHEMBL7898723 0.91 NOD1 (0.62) NOD1EPHX1NAAAZDHHC7
SCHEMBL7898771 0.91 NOD1 (0.62) NOD1EPHX1NAAAZDHHC7
SCHEMBL7901775 0.91 NOD1 (0.62) NOD1EPHX1NAAAZDHHC7
SCHEMBL7898338 0.91 NOD1 (0.62) NOD1EPHX1NAAAZDHHC7
SCHEMBL7898233 0.91 NOD1 (0.62) NOD1EPHX1NAAAZDHHC7
SCHEMBL7898785 0.91 NOD1 (0.62) NOD1EPHX1NAAAZDHHC7
SCHEMBL7900165 0.91 NOD1 (0.62) NOD1EPHX1NAAAZDHHC7

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-0973710-A2 OMEGA-AMINO ACID DERIVATIVES, PROCESSES OF THEIR PREPARATION AND THEIR USE Bochemie S.R.O. (CZ) 2000-01-26 EP disclosed
WO-1998045233-A2 OMEGA-AMINO ACID DERIVATIVES, PROCESSES OF THEIR PREPARATION AND THEIR USE BOCHEMIE S.R.O. (CZ) 1998-10-15 WO disclosed