SCHEMBL7050367

SCHEMBL7050367

CCCCCCCCCCCC(O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.47
GPR84 Q9NQS5 7/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.42
FAAH O00519 2/20 0.41
SLC6A5 Q9Y345 1/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SOAT1 P35610 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL19816805 1.00 NOD1 (0.47) NOD1GPR84FFAR1FFAR4FAAH
SCHEMBL8140501 0.88 FFAR1 (0.53) NOD1GPR84FFAR1FFAR4PPARD
SCHEMBL10708556 0.88 FFAR1 (0.53) NOD1GPR84FFAR1FFAR4PPARD
SCHEMBL7604126 0.87 KMT2A (0.41) NOD1KMT2A
SCHEMBL7536779 0.86 FFAR1 (0.51) NOD1GPR84FFAR1FFAR4PPARD
SCHEMBL19816799 0.85 ZDHHC7 (0.50) GPR84FFAR1FFAR4FAAHMAPT
SCHEMBL4795978 0.85 NOD1 (0.47) NOD1GPR84FFAR1FAAHSLC6A5
SCHEMBL28686537 0.84 GPR84 (0.44) NOD1GPR84FFAR1FFAR4FAAH
SCHEMBL3389707 0.83 SLC6A5 (0.54) NOD1GPR84FFAR1SLC6A5MAPT
SCHEMBL5158281 0.82 KMT2A (0.42) NOD1KMT2A

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
EP-0815833-B1 Malodour preventing agents GIVAUDAN SA (CH) 2003-04-09 EP claimed