SCHEMBL9428367

SCHEMBL9428367

CCCCCCCCCCCCc1ccccc1C(Sc1ccccc1C(=O)O)C(O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.50
CYSLTR1 Q9Y271 10/20 0.50
POLB P06746 1/20 0.47
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
PLK1 P53350 1/20 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
SCHEMBL9428519 0.95 POLB (0.49) CYSLTR2CYSLTR1POLB
SCHEMBL9428107 0.90 CYSLTR2 (0.62) CYSLTR2CYSLTR1POLBBIDMCL1
SCHEMBL9856022 0.90 CYSLTR2 (0.62) CYSLTR2CYSLTR1POLBBIDMCL1
SCHEMBL9428987 0.86 CYSLTR2 (0.57) CYSLTR2CYSLTR1POLBBIDMCL1
SCHEMBL9429047 0.81 CYSLTR2 (0.49) CYSLTR2CYSLTR1POLBBIDMCL1
SCHEMBL10436550 0.78 POLB (0.56) POLBPPARA
SCHEMBL9428584 0.77 POLB (0.55) POLBPLK1
SCHEMBL9395596 0.77 CYSLTR2 (0.81) CYSLTR2CYSLTR1
SCHEMBL9395589 0.77 CYSLTR2 (0.81) CYSLTR2CYSLTR1
SCHEMBL27262084 0.77 CYSLTR2 (0.81) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 US disclosed
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP disclosed
EP-0403249-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed