SCHEMBL20163309

SCHEMBL20163309

O=C(CCCO)C(=O)CCCO

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.59
CES1 P23141 7/20 0.50
CES2 O00748 6/20 0.50
GPR84 Q9NQS5 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
OR51E2 Q9H255 1/20 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
SCHEMBL13881276 0.85 CAMK2A (0.46) CAMK2ACES1CES2GPR84FFAR1
SCHEMBL4647502 0.85 CAMK2A (0.46) CAMK2ACES1CES2GPR84FFAR1
SCHEMBL4641956 0.85 CAMK2A (0.46) CAMK2ACES1CES2GPR84FFAR1
SCHEMBL17512855 0.85 CES1 (0.67) CAMK2ACES1CES2SMN1; SMN2ALDH1A1
SCHEMBL13879017 0.85 CES1 (0.52) CAMK2ACES1CES2GPR84FFAR1
SCHEMBL59985 0.83
SCHEMBL4642144 0.81
SCHEMBL4645363 0.79 CES1 (0.40) CAMK2ACES1CES2GPR84FFAR1
SCHEMBL7723432 0.77 CAMK2A (0.59) CAMK2AGPR84FFAR1FFAR4KDM4E
SCHEMBL23438021 0.77 CES1 (0.50) CAMK2ACES1CES2ALDH1A1

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
US-20180142269-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL GENOMATICA INC (US) 2018-05-24 US disclosed