SCHEMBL9536020

SCHEMBL9536020

CCCCCCCCCCCCn1ccnc1C(CC(=O)O)OCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
TLR8 Q9NR97 2/20 0.40
FPR2 P25090 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G4B P0C869 2/20 0.36
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
ESR1 P03372 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TBXA2R P21731 2/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 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
SCHEMBL9538934 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TLR8FPR2ALDH1A1POLB
SCHEMBL10520884 0.78 SMN1; SMN2 (0.47) SMN1; SMN2TLR8FPR2ALDH1A1POLB
SCHEMBL4436250 0.74 SMN1; SMN2 (0.50) SMN1; SMN2TLR8FPR2ALDH1A1POLB
Acetic Acid SCHEMBL29137536 0.73 SMN1; SMN2 (0.49) SMN1; SMN2TLR8ALDH1A1POLBKMT2A
Acetic Acid SCHEMBL28952653 0.73 SMN1; SMN2 (0.49) SMN1; SMN2TLR8ALDH1A1POLBKMT2A
SCHEMBL28958874 0.71 TLR8 (0.41) SMN1; SMN2TLR8FPR2ALDH1A1POLB
SCHEMBL9534900 0.71 SMN1; SMN2 (0.45) SMN1; SMN2TLR8FPR2CYSLTR2CYSLTR1
SCHEMBL9533128 0.71 SMN1; SMN2 (0.45) SMN1; SMN2TLR8FPR2CYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL28958841 0.70 TLR8 (0.42) SMN1; SMN2TLR8FPR2ALDH1A1POLB
SCHEMBL29906137 0.70 TLR8 (0.54) SMN1; SMN2TLR8ALDH1A1POLBKMT2A

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