SCHEMBL5708609

SCHEMBL5708609

CCCCCC(CC)C(C(C)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.47
FFAR1 O14842 2/20 0.47
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
CA2 P00918 1/20 0.44
MAPK1 P28482 1/20 0.44
ACE2 Q9BYF1 1/20 0.43
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
CA1 P00915 1/20 0.38

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
SCHEMBL3033757 0.90 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL338380 0.88 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1010667 0.88 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL337747 0.88 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL337303 0.88 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL29069493 0.88 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL338389 0.88 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5859388 0.84 CA2 (0.56) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8667648 0.81 GPR84 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL7619892 0.80 CA2 (0.49) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
CN-101035822-A Azlactone telechelic polymer 3M INNOVATIVE PROPERTIES CO (US) 2007-09-12 CN disclosed
EP-1707185-A1 Solvent materials and methods for preparing fragrance compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2006-10-04 EP disclosed