SCHEMBL9561464

SCHEMBL9561464

CCCCCCCCc1ccccc1C(SCC(=O)OC)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.56
CYSLTR1 Q9Y271 11/20 0.56
PPARA Q07869 1/20 0.41
PPARG P37231 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
BID P55957 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BAK1 Q16611 1/20 0.38

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
SCHEMBL9559976 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARAPPARGMEN1
SCHEMBL9561450 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARAPPARGMEN1
SCHEMBL9560041 0.91 CYSLTR2 (0.59) CYSLTR2CYSLTR1PPARAPPARGTHRA
SCHEMBL9560080 0.88 CYSLTR2 (0.58) CYSLTR2CYSLTR1PPARG
SCHEMBL9560376 0.83 CYSLTR2 (0.52) CYSLTR2CYSLTR1
SCHEMBL9507481 0.83 CYSLTR2 (0.71) CYSLTR2CYSLTR1
SCHEMBL9561606 0.83 CYSLTR2 (0.53) CYSLTR2CYSLTR1PPARAPPARGBID
SCHEMBL10435617 0.82 PPARG (0.45) CYSLTR2CYSLTR1PPARAPPARGALDH1A1
SCHEMBL9559832 0.82 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARATHRATHRB
SCHEMBL9560372 0.82 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARATHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189226-A Chemical intermediate for diacid SMITHKLINE BEECHAM CORPORATION (US) 1993-02-23 US disclosed
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US disclosed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP disclosed