SCHEMBL9536637

SCHEMBL9536637

CCCCCCCCCCCCn1ccnc1C(Cc1nnn[nH]1)SCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
CYSLTR2 Q9NS75 15/20 0.34
CYSLTR1 Q9Y271 15/20 0.34
FPR2 P25090 2/20 0.34
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL9534515 0.82 SMN1; SMN2 (0.47) SMN1; SMN2CYSLTR2CYSLTR1TLR8
SCHEMBL9536344 0.81 SMN1; SMN2 (0.39) SMN1; SMN2CYSLTR2CYSLTR1FPR2TLR8
SCHEMBL9534342 0.81 SMN1; SMN2 (0.39) SMN1; SMN2FPR2TLR8
SCHEMBL9533128 0.74 SMN1; SMN2 (0.45) SMN1; SMN2CYSLTR2CYSLTR1FPR2TLR8
SCHEMBL9534900 0.74 SMN1; SMN2 (0.45) SMN1; SMN2CYSLTR2CYSLTR1FPR2TLR8
SCHEMBL9533367 0.71 SMN1; SMN2 (0.42) SMN1; SMN2CYSLTR2CYSLTR1FPR2TLR8
SCHEMBL4436250 0.67 SMN1; SMN2 (0.50) SMN1; SMN2FPR2TLR8
SCHEMBL10520884 0.66 SMN1; SMN2 (0.47) SMN1; SMN2FPR2TLR8
SCHEMBL9536020 0.66 SMN1; SMN2 (0.47) SMN1; SMN2CYSLTR2CYSLTR1FPR2TLR8
SCHEMBL27700936 0.65 TLR8 (0.53) 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 3 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 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