SCHEMBL28875708

SCHEMBL28875708

CCCCCCCCCCCCC(C)C(C(=O)O)C(=O)O.[BaH2]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.55
FFAR1 O14842 2/20 0.55
ACE2 Q9BYF1 1/20 0.55
MAPT P10636 1/20 0.53
LCK P06239 1/20 0.53
PPARD Q03181 1/20 0.53
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CA1 P00915 2/20 0.45
FAAH O00519 1/20 0.44
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL19384368 0.98 GPR84 (0.57) GPR84FFAR1ACE2MAPTLCK
SCHEMBL338121 0.98 GPR84 (0.57) GPR84FFAR1ACE2MAPTLCK
SCHEMBL1042654 0.98 GPR84 (0.57) GPR84FFAR1ACE2MAPTLCK
SCHEMBL2928745 0.98 GPR84 (0.57) GPR84FFAR1ACE2MAPTLCK
SCHEMBL338004 0.98 GPR84 (0.57) GPR84FFAR1ACE2MAPTLCK
SCHEMBL29098805 0.98 GPR84 (0.57) GPR84FFAR1ACE2MAPTLCK
SCHEMBL337570 0.98 GPR84 (0.57) GPR84FFAR1ACE2MAPTLCK
SCHEMBL338277 0.98 GPR84 (0.57) GPR84FFAR1ACE2MAPTLCK
SCHEMBL5860202 0.98 GPR84 (0.57) GPR84FFAR1ACE2MAPTLCK
SCHEMBL6157245 0.96 GPR84 (0.54) GPR84FFAR1ACE2MAPTLCK

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
CN-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 CN claimed