SCHEMBL9538018

SCHEMBL9538018

O=C(O)CCSC(c1occc1CCCCCCCCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.69
CYSLTR1 Q9Y271 14/20 0.69
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LTB4R Q15722 2/20 0.39

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
SCHEMBL9534476 0.88 CYSLTR2 (0.53) CYSLTR2CYSLTR1
SCHEMBL9536204 0.82 CYSLTR2 (0.68) CYSLTR2CYSLTR1MAPTRXFP1HDAC3
Pobilukast SCHEMBL125952 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL29473536 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL6437479 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9534835 0.81 CYSLTR2 (0.49) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL9508139 0.81 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL9508133 0.81 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9560172 0.80 CYSLTR2 (0.73) CYSLTR2CYSLTR1MAPTRXFP1HDAC3
SCHEMBL9532869 0.78 CYSLTR2 (0.69) CYSLTR2CYSLTR1MAPTRXFP1LTB4R

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