SCHEMBL9856321

SCHEMBL9856321

O=C(O)c1cccc(SC(c2ccccc2OCCCc2ccccc2)C(O)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
FOLH1 Q04609 1/20 0.42
MRGPRX4 Q96LA9 4/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
LTB4R Q15722 4/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9855785 0.97 CYSLTR2 (0.49) CYSLTR2CYSLTR1FOLH1MRGPRX4PDE4A
SCHEMBL9856081 0.97 CYSLTR2 (0.49) CYSLTR2CYSLTR1FOLH1MRGPRX4PDE4A
SCHEMBL9428150 0.88 CYSLTR2 (0.48) CYSLTR2CYSLTR1FOLH1LTB4RHPGD
SCHEMBL9428702 0.88 CYSLTR2 (0.48) CYSLTR2CYSLTR1FOLH1LTB4RHPGD
SCHEMBL9428678 0.88 CYSLTR2 (0.48) CYSLTR2CYSLTR1FOLH1LTB4RHPGD
SCHEMBL9428428 0.83 CYSLTR2 (0.59) CYSLTR2CYSLTR1FOLH1NR1H4HPGD
SCHEMBL9428048 0.79 PTPN11 (0.46) CYSLTR2CYSLTR1MRGPRX4LTB4RHPGD
SCHEMBL9427799 0.77 PTPN11 (0.47) CYSLTR2CYSLTR1FOLH1MRGPRX4LTB4R
SCHEMBL9429208 0.77 PTPN11 (0.47) CYSLTR2CYSLTR1MRGPRX4LTB4RHPGD
SCHEMBL9429136 0.77 CYSLTR2 (0.51) CYSLTR2CYSLTR1FOLH1LTB4RHPGD

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
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP disclosed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed