SCHEMBL7947994

SCHEMBL7947994

CCCCOCC(OCCCC)(OCCCC)C(CC(CCCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
SLC1A3 P43003 1/20 0.38
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
FOLH1 Q04609 2/20 0.35
PLA2G2C Q5R387 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FFAR1 O14842 1/20 0.33
AKR1B1 P15121 1/20 0.33
PLA2G4B P0C869 2/20 0.32
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
TSHR P16473 2/20 0.32
GPR84 Q9NQS5 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL8845878 0.82 HSPD1 (0.37) PLA2G2CFFAR4FFAR1AKR1B1PLA2G4B
SCHEMBL7947990 0.77 SLC1A2 (0.43) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL28511643 0.76 HSPD1 (0.40) FFAR4FFAR1AKR1B1PPARGPPARD
SCHEMBL2898687 0.74 AKR1B1 (0.41) FFAR4FFAR1AKR1B1PPARGPPARD
SCHEMBL11087832 0.74 CA2 (0.47) CA2MAPK1FOLH1FFAR4FFAR1
SCHEMBL7987398 0.73 CA2 (0.46) CA2MAPK1FOLH1FFAR4FFAR1
SCHEMBL110312 0.73 SLC1A2 (0.42) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL2898688 0.72 SLC1A2 (0.46) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL2482839 0.72 ALDH1A1 (0.35) PLA2G2CPLA2G4BTSHRALDH1A1ALOX15
SCHEMBL7987396 0.71 HSPD1 (0.38) FFAR4FFAR1AKR1B1PPARGPPARD

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
WO-2001051543-A2 TRICARBOXYLATE PLASTICIZER FOR HALOGENATED POLYMERS TEKNOR APEX COMPANY (US) 2001-07-19 WO disclosed