SCHEMBL9561606

SCHEMBL9561606

CCCCCCCCCCCCc1ccccc1C(SCC(C)C(=O)O)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 12/20 0.53
CYSLTR1 Q9Y271 12/20 0.53
PPARA Q07869 2/20 0.41
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 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
SCHEMBL9559976 0.83 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9561450 0.83 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9561464 0.83 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9507481 0.82 CYSLTR2 (0.71) CYSLTR2CYSLTR1
SCHEMBL9560080 0.81 CYSLTR2 (0.58) CYSLTR2CYSLTR1PPARG
SCHEMBL9559832 0.79 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARA
SCHEMBL9560372 0.79 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARA
SCHEMBL9560194 0.79 CYSLTR2 (0.52) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9560229 0.78 CYSLTR2 (0.49) CYSLTR2CYSLTR1PPARA
SCHEMBL9560302 0.78 CYSLTR2 (0.49) CYSLTR2CYSLTR1PPARA

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