SCHEMBL13714967

SCHEMBL13714967

CCCCCCCCOC(=O)OC1CC(C)(C)N(OCC(C)(C)OC)C(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 3/20 0.31
AKT1 P31749 3/20 0.31
AKT2 P31751 3/20 0.31
AKT3 Q9Y243 3/20 0.31
EPHX1 P07099 1/20 0.31
GBA2 Q9HCG7 1/20 0.31
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30
ACHE P22303 5/20 0.30
TSHR P16473 2/20 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
SCHEMBL12047271 0.89 NAAA (0.33) NAAARAD52NPSR1EPHX2EPHX1
SCHEMBL15300133 0.84 NAAA (0.46) NAAAEPHX2
SCHEMBL15300167 0.84 NAAA (0.46) NAAAEPHX2
SCHEMBL15299956 0.84 NAAA (0.46) NAAAEPHX2
SCHEMBL15299929 0.84 NAAA (0.46) NAAAEPHX2
SCHEMBL12047222 0.83 NAAA (0.35) NAAAEPHX2AKT1AKT2AKT3
SCHEMBL185586 0.79 EPHX2 (0.39) NAAAEPHX2EPHX1ACHE
SCHEMBL22699687 0.79 EPHX2 (0.39) NAAAEPHX2EPHX1ACHE
SCHEMBL12047216 0.79 EPHX2 (0.39) NAAAEPHX2EPHX1ACHE
Octane SCHEMBL31147002 0.79 EPHX2 (0.39) NAAAEPHX2EPHX1ACHE

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-7572843-B2 ink jets; colorfastness CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-08-11 US disclosed
US-7531664-B2 Flame retarding compounds CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-05-12 US disclosed