SCHEMBL9429962

SCHEMBL9429962

COc1ccccc1C(SC(c1ccccc1CCCCCCCCc1ccccc1)C(OC)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 6/20 0.48
CYSLTR1 Q9Y271 6/20 0.48
HPGD P15428 1/20 0.42
PPARA Q07869 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
FAAH O00519 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL9560824 0.80 CYSLTR2 (0.72) CYSLTR2CYSLTR1
SCHEMBL9559948 0.80 CYSLTR2 (0.72) CYSLTR2CYSLTR1
SCHEMBL9428630 0.79 CYSLTR2 (0.45) CYSLTR2CYSLTR1HPGD
SCHEMBL9429049 0.79 CYSLTR2 (0.45) CYSLTR2CYSLTR1HPGD
SCHEMBL8937745 0.78 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL9364503 0.78 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL9856680 0.76 CYSLTR2 (0.46) CYSLTR2CYSLTR1FAAH
SCHEMBL9430238 0.76 CYSLTR2 (0.48) CYSLTR2CYSLTR1
SCHEMBL9484822 0.75 LTB4R (0.42) CYSLTR2CYSLTR1HPGDFAAH
SCHEMBL9485577 0.75 CYSLTR2 (0.47) 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
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 US disclosed