SCHEMBL9534035

SCHEMBL9534035

O=C(O)CCS[C@H](c1nccn1CCCCCCCCc1ccccc1)[C@@H](O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.59
CYSLTR1 Q9Y271 8/20 0.59
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 1/20 0.37

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
SCHEMBL9534048 1.00 CYSLTR2 (0.59) CYSLTR2CYSLTR1MAPTRXFP1SMN1; SMN2
SCHEMBL9534900 0.85 SMN1; SMN2 (0.45) CYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL9533128 0.85 SMN1; SMN2 (0.45) CYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL9537800 0.79 CYSLTR2 (0.47) CYSLTR2CYSLTR1MAPTRXFP1SMN1; SMN2
SCHEMBL9505459 0.76 CYSLTR2 (0.71) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9539184 0.76 CYSLTR2 (0.42) CYSLTR2CYSLTR1MAPTRXFP1SMN1; SMN2
SCHEMBL9533367 0.76 SMN1; SMN2 (0.42) CYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL9560172 0.74 CYSLTR2 (0.73) CYSLTR2CYSLTR1MAPTRXFP1SMN1; SMN2
Pobilukast SCHEMBL29473536 0.74 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL6437479 0.74 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1

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 claimed
EP-0528957-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-03 EP claimed
WO-1991016889-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO claimed