SCHEMBL9561626

SCHEMBL9561626

CC(C)OC(=O)CCS[C@H](c1ccccc1CCCCCCCCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.75
CYSLTR1 Q9Y271 14/20 0.75
LPAR1 Q92633 3/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL10475509 1.00 CYSLTR2 (0.75) CYSLTR2CYSLTR1LPAR1TSHR
SCHEMBL10459640 1.00 CYSLTR2 (0.75) CYSLTR2CYSLTR1LPAR1TSHR
SCHEMBL8925768 0.90 CYSLTR2 (0.78) CYSLTR2CYSLTR1
SCHEMBL9561170 0.88 CYSLTR2 (0.75) CYSLTR2CYSLTR1LPAR1
SCHEMBL9561165 0.88 CYSLTR2 (0.75) CYSLTR2CYSLTR1LPAR1
Pobilukast SCHEMBL6437479 0.86 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Pobilukast SCHEMBL125952 0.86 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Pobilukast SCHEMBL29473536 0.86 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Pobilukast SCHEMBL9508139 0.85 CYSLTR2 (0.98) CYSLTR2CYSLTR1
Pobilukast SCHEMBL9508133 0.85 CYSLTR2 (0.98) CYSLTR2CYSLTR1

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
US-5189226-A Chemical intermediate for diacid SMITHKLINE BEECHAM CORPORATION (US) 1993-02-23 US disclosed
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US disclosed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP disclosed