SCHEMBL9560041

SCHEMBL9560041

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.59
CYSLTR1 Q9Y271 11/20 0.59
PPARA Q07869 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PPARG P37231 2/20 0.41
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 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
SCHEMBL9561464 0.91 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARATHRATHRB
SCHEMBL9561450 0.91 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARATHRATHRB
SCHEMBL9559976 0.91 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARATHRATHRB
SCHEMBL9560196 0.88 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARG
SCHEMBL9559989 0.88 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARAPPARGBID
SCHEMBL9560190 0.88 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARAPPARGBID
SCHEMBL9560087 0.88 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARAPPARGBID
SCHEMBL9158808 0.81 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL9560029 0.81 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL9864623 0.81 CYSLTR2 (0.77) 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 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