SCHEMBL9534342

SCHEMBL9534342

CCCCCCCCCCCCn1ccnc1C(Cc1nnn[nH]1)C(O)CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
FPR2 P25090 2/20 0.34
TLR8 Q9NR97 2/20 0.33
PTGER4 P35408 3/20 0.33
PTGER1 P34995 1/20 0.32
PTGER3 P43115 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL9534335 0.83 SMN1; SMN2 (0.41) SMN1; SMN2FPR2TLR8ALDH1A1POLB
SCHEMBL9536637 0.81 SMN1; SMN2 (0.39) SMN1; SMN2FPR2TLR8
SCHEMBL9536344 0.74 SMN1; SMN2 (0.39) SMN1; SMN2FPR2TLR8
SCHEMBL9485376 0.69 S1PR1 (0.39) S1PR2S1PR1S1PR3
SCHEMBL27700936 0.67 TLR8 (0.53) SMN1; SMN2TLR8ALDH1A1POLBKMT2A
SCHEMBL9538934 0.67 SMN1; SMN2 (0.46) SMN1; SMN2FPR2TLR8ALDH1A1POLB
SCHEMBL4436250 0.67 SMN1; SMN2 (0.50) SMN1; SMN2FPR2TLR8ALDH1A1POLB
SCHEMBL10520884 0.66 SMN1; SMN2 (0.47) SMN1; SMN2FPR2TLR8ALDH1A1POLB
SCHEMBL9533128 0.66 SMN1; SMN2 (0.45) SMN1; SMN2FPR2TLR8
SCHEMBL9534900 0.66 SMN1; SMN2 (0.45) SMN1; SMN2FPR2TLR8

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