SCHEMBL9534515

SCHEMBL9534515

CCCCCCCCCCCCn1ccnc1C(CC(=O)O)SCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CYSLTR2 Q9NS75 15/20 0.40
CYSLTR1 Q9Y271 15/20 0.40
TLR8 Q9NR97 2/20 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
SCHEMBL9534900 0.84 SMN1; SMN2 (0.45) SMN1; SMN2CYSLTR2CYSLTR1TLR8
SCHEMBL9533128 0.84 SMN1; SMN2 (0.45) SMN1; SMN2CYSLTR2CYSLTR1TLR8
SCHEMBL9536637 0.82 SMN1; SMN2 (0.39) SMN1; SMN2CYSLTR2CYSLTR1TLR8
SCHEMBL9533367 0.81 SMN1; SMN2 (0.42) SMN1; SMN2CYSLTR2CYSLTR1TLR8
SCHEMBL10520884 0.78 SMN1; SMN2 (0.47) SMN1; SMN2TLR8
SCHEMBL9536020 0.77 SMN1; SMN2 (0.47) SMN1; SMN2CYSLTR2CYSLTR1TLR8
SCHEMBL9536344 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CYSLTR2CYSLTR1TLR8
SCHEMBL4436250 0.74 SMN1; SMN2 (0.50) SMN1; SMN2TLR8
SCHEMBL9538934 0.72 SMN1; SMN2 (0.46) SMN1; SMN2TLR8
SCHEMBL27925787 0.70 TLR8 (0.54) SMN1; SMN2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528957-A4 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP claimed
EP-0528957-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-03 EP claimed
WO-1991016889-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO claimed
EP-0528957-A4 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP disclosed
EP-0528957-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-03 EP disclosed
WO-1991016889-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO disclosed