SCHEMBL1399301

SCHEMBL1399301

NC(O)CC(=O)CCCO

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.40
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
ENPEP Q07075 2/20 0.30

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
SCHEMBL3724208 0.79 CES1 (0.44) GPR84
SCHEMBL2227135 0.76 KMT2A (0.52) GPR84
SCHEMBL678576 0.76 KMT2A (0.52) GPR84
SCHEMBL10603115 0.76 KMT2A (0.52) GPR84
SCHEMBL16782312 0.76 KMT2A (0.52) GPR84
SCHEMBL17063554 0.74 THRB (0.40) CAMK2AGPR84FFAR1FFAR4
Fluoride SCHEMBL2400392 0.74 KMT2A (0.50) GPR84
SCHEMBL1271373 0.73
SCHEMBL2527134 0.73 ALDH1A1 (0.42) CAMK2AGPR84FFAR1FFAR4KDM4E
SCHEMBL7723432 0.73 CAMK2A (0.59) CAMK2AGPR84FFAR1FFAR4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758468-B1 TASTE IMPROVING SUBSTANCES GIVAUDAN NEDERLAND SERVICES BV (NL) 2011-03-02 EP disclosed
EP-1758468-A1 TASTE IMPROVING SUBSTANCES Quest International Services B.V. (NL) 2007-03-07 EP disclosed
WO-2005102071-B1 TASTE IMPROVING SUBSTANCES QUEST INT (NL) 2006-02-23 WO disclosed
WO-2005102071-A1 TASTE IMPROVING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2005-11-03 WO disclosed