SCHEMBL9560197

SCHEMBL9560197

CC(SC(CC(=O)O)c1ccccc1CCCCCCCCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 12/20 0.65
CYSLTR1 Q9Y271 12/20 0.65
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LTB4R Q15722 2/20 0.41
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 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
SCHEMBL9505649 0.85 CYSLTR2 (0.48) CYSLTR2CYSLTR1LTB4RALDH1A1HPGD
SCHEMBL10431544 0.83 CYSLTR2 (0.47) CYSLTR2CYSLTR1ALDH1A1HPGDKMT2A
SCHEMBL29090154 0.81 CYSLTR2 (0.66) CYSLTR2CYSLTR1LTB4RBIDBCL2L1
SCHEMBL9155578 0.79 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9155567 0.79 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9386199 0.78 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9856295 0.76 CYSLTR2 (0.69) CYSLTR2CYSLTR1MAPTRXFP1BID
SCHEMBL9856152 0.76 CYSLTR2 (0.63) CYSLTR2CYSLTR1MAPTRXFP1BID
SCHEMBL9560053 0.76 CYSLTR2 (0.62) CYSLTR2CYSLTR1MAPTRXFP1LTB4R
SCHEMBL6449278 0.76 CYSLTR2 (0.44) CYSLTR2CYSLTR1MAPTRXFP1LTB4R

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-0358240-B1 INTERMEDIATES FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-09 EP claimed