SCHEMBL10909617

SCHEMBL10909617

COC(C)(C(=O)O)C(O)c1ccccc1CCCCCCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.49
CYSLTR1 Q9Y271 10/20 0.49
LTB4R Q15722 4/20 0.43
BID P55957 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
BAK1 Q16611 1/20 0.43
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL9560072 0.77 CYSLTR2 (0.52) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9428159 0.75 CYSLTR2 (0.47) CYSLTR2CYSLTR1LTB4RBIDBCL2L1
SCHEMBL9560211 0.74 CYSLTR2 (0.51) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9559793 0.73 CYSLTR2 (0.48) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9428460 0.73 CYSLTR2 (0.49) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9560053 0.72 CYSLTR2 (0.62) CYSLTR2CYSLTR1LTB4RBIDBCL2L1
SCHEMBL9430238 0.71 CYSLTR2 (0.48) CYSLTR2CYSLTR1LTB4RBIDBCL2L1
SCHEMBL9856171 0.70 CYSLTR2 (0.60) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9430233 0.70 BID (0.44) CYSLTR2CYSLTR1LTB4RBIDBCL2L1
SCHEMBL9560067 0.70 CYSLTR2 (0.47) CYSLTR2CYSLTR1BIDBCL2L1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP disclosed