SCHEMBL7705777

SCHEMBL7705777

CCC(O)CCCCCCCCCBr

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PSMD14 O00487 2/20 0.33
PLA2G1B P04054 2/20 0.33
MMP2 P08253 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
HSP90AA1 P07900 1/20 0.33
ASAH1 Q13510 1/20 0.33
RAD52 P43351 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
NFKB1 P19838 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 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
SCHEMBL19629759 1.00 GPR84 (0.39) GPR84FFAR1FFAR4L3MBTL1PSMD14
SCHEMBL30787428 0.87 GPR84 (0.46) GPR84FFAR1FFAR4PSMD14PLA2G1B
SCHEMBL30787116 0.87 GPR84 (0.46) GPR84FFAR1FFAR4PSMD14PLA2G1B
SCHEMBL2845646 0.87 GPR84 (0.46) GPR84FFAR1FFAR4PSMD14PLA2G1B
SCHEMBL30787207 0.87 GPR84 (0.46) GPR84FFAR1FFAR4PSMD14PLA2G1B
SCHEMBL23530055 0.87 GPR84 (0.46) GPR84FFAR1FFAR4PSMD14PLA2G1B
SCHEMBL30787307 0.87 GPR84 (0.46) GPR84FFAR1FFAR4PSMD14PLA2G1B
SCHEMBL14660129 0.87 GPR84 (0.46) GPR84FFAR1FFAR4PSMD14PLA2G1B
SCHEMBL30787291 0.87 GPR84 (0.46) GPR84FFAR1FFAR4PSMD14PLA2G1B
SCHEMBL28581845 0.84 FFAR4 (0.38) GPR84FFAR1FFAR4L3MBTL1ACACB

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
US-6362352-B1 MEDICAL DIAGNOSIS DUKE UNIVERSITY 2002-03-26 US disclosed
WO-2000063216-A1 F-18-LABELED THIA FATTY ACIDS AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2000-10-26 WO disclosed