SCHEMBL3142234

SCHEMBL3142234

CCCCC/C(=C/C1CCCC1)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.44
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 1/20 0.38
CES2 O00748 4/20 0.38
CES1 P23141 4/20 0.38
GNAI3 P08754 3/20 0.37
GNAO1 P09471 3/20 0.37
GNAI1 P63096 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
AKR1B1 P15121 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL3151237 1.00 NAAA (0.44) NAAAGRIK1GRIK2CES2CES1
SCHEMBL3142242 1.00 NAAA (0.44) NAAAGRIK1GRIK2CES2CES1
SCHEMBL3145754 0.98 NAAA (0.45) NAAAGRIK1GRIK2CES2CES1
SCHEMBL3145743 0.98 NAAA (0.45) NAAAGRIK1GRIK2CES2CES1
SCHEMBL3147564 0.97 NAAA (0.40) NAAACES2CES1GNAI3GNAO1
SCHEMBL3147556 0.97 NAAA (0.40) NAAACES2CES1GNAI3GNAO1
SCHEMBL3151766 0.93 CES1 (0.40) NAAACES2CES1GNAI3GNAO1
SCHEMBL2946002 0.93 CES1 (0.40) NAAACES2CES1GNAI3GNAO1
SCHEMBL2946005 0.93 CES1 (0.40) NAAACES2CES1GNAI3GNAO1
SCHEMBL2948929 0.91 CES2 (0.42) NAAACES2CES1GNAI3GNAO1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP claimed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 WO claimed
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP disclosed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 WO disclosed