SCHEMBL8984580

SCHEMBL8984580

CC(CCCCCCCCCCCCCCCCO)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ACE2 Q9BYF1 1/20 0.42
BHMT Q93088 1/20 0.42
CAMK2A Q9UQM7 1/20 0.37
BLM P54132 1/20 0.36
PTPN1 P18031 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 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
SCHEMBL8984477 1.00 GPR84 (0.44) GPR84FFAR1FFAR4ACE2BHMT
SCHEMBL8984397 1.00 GPR84 (0.44) GPR84FFAR1FFAR4ACE2BHMT
SCHEMBL8984636 1.00 GPR84 (0.44) GPR84FFAR1FFAR4ACE2BHMT
SCHEMBL8569864 0.98 BHMT (0.43) GPR84FFAR1FFAR4ACE2BHMT
SCHEMBL18704287 0.91 BHMT (0.44) GPR84FFAR1FFAR4ACE2BHMT
SCHEMBL426173 0.91 BHMT (0.44) GPR84FFAR1FFAR4ACE2BHMT
SCHEMBL9460828 0.91 BHMT (0.44) GPR84FFAR1FFAR4ACE2BHMT
SCHEMBL29991721 0.91 GPR84 (0.50) GPR84FFAR1FFAR4ACE2BHMT
SCHEMBL425046 0.89 BHMT (0.48) GPR84ACE2BHMTBLM
SCHEMBL8984645 0.85 TERT (0.41) FFAR1FFAR4BLMPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711746-A1 Process for preparing hydroxycarboxylic acids UNILEVER PLC (GB) 1996-05-15 EP disclosed
US-5502226-A SELECTIVE REDUCTION OF DIKETONE TO KETO ACIDS USING HYDROGEN IN THE PRESENCE OF BASE ELIZABETH ARDEN CO., DIVISION OF CONOPCO, INC. (US) 1996-03-26 US disclosed