SCHEMBL9864065

SCHEMBL9864065

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.54
CYSLTR1 Q9Y271 9/20 0.54
PPARA Q07869 2/20 0.47
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
LIPG Q9Y5X9 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL9559933 0.88 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL7916115 0.80 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9559793 0.80 CYSLTR2 (0.48) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL9506711 0.79 CYSLTR2 (0.51) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9559934 0.79 CYSLTR2 (0.68) CYSLTR2CYSLTR1
SCHEMBL6890650 0.79 CYSLTR2 (0.59) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL28315886 0.77 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL10435204 0.77 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL3242848 0.77 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9504738 0.77 CYSLTR2 (0.54) CYSLTR2CYSLTR1PPARABIDMCL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5034537-A Alpha-methyl-4-halobenzenemethanamine salts of acids for cardiovascular disorders, respiratory system disorders and antiallergens SMITHKLINE BEECHAM CORPORATION (US) 1991-07-23 US disclosed
US-4939279-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-07-03 US disclosed
US-4874792-A RESPIRATORY SYSTEM DISORDERS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-17 US disclosed
US-4820719-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIISCHEMIC AND HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-11 US disclosed