SCHEMBL30639265

SCHEMBL30639265

O=C(O)CCCCCCCOc1cccc(OCCCCCCCC(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.58
CYSLTR2 Q9NS75 1/20 0.58
CYSLTR1 Q9Y271 1/20 0.58
FABP1 P07148 1/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 3/20 0.56
PLA2G4B P0C869 2/20 0.56
ALB P02768 1/20 0.55
ACSL1 P33121 1/20 0.55
ACSL6 Q9UKU0 1/20 0.55
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54

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
SCHEMBL8355748 0.92 LMNA (0.64) PPARACYSLTR2CYSLTR1PLA2G4BFFAR1
SCHEMBL29722727 0.90 KMT2A (0.67) PPARAPLA2G4B
SCHEMBL4081340 0.90 CNR2 (0.67) PPARACYSLTR2CYSLTR1FABP1HDAC1
SCHEMBL17261730 0.90 LMNA (0.66) PPARACYSLTR2CYSLTR1FFAR1FFAR4
SCHEMBL4076679 0.90 CNR2 (0.67) PPARACYSLTR2CYSLTR1FABP1HDAC1
SCHEMBL4114764 0.90 CNR2 (0.67) PPARACYSLTR2CYSLTR1FABP1HDAC1
SCHEMBL2158881 0.90 CNR2 (0.67) PPARACYSLTR2CYSLTR1FABP1HDAC1
SCHEMBL4110127 0.90 CNR2 (0.67) PPARACYSLTR2CYSLTR1FABP1HDAC1
SCHEMBL4086003 0.90 CNR2 (0.67) PPARACYSLTR2CYSLTR1FABP1HDAC1
SCHEMBL17163824 0.90 KMT2A (0.67) PPARAPLA2G4B

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-116904765-A Method for selectively extracting, precipitating and enriching lithium from lithium-containing alkaline aqueous solution 北京科技大学 2023-10-20 CN disclosed