SCHEMBL9733946

SCHEMBL9733946

CCCc1c(O)c(C(C)=O)cc(Cl)c1OCCCSc1ccc(C(O)C(C)CC(=O)O)cc1.[NaH]

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.72
CYSLTR1 Q9Y271 14/20 0.72
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
PPARD Q03181 4/20 0.46
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL9733952 0.91 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9734207 0.91 CYSLTR2 (0.75) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733385 0.91 CYSLTR2 (0.75) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL10456745 0.89 CYSLTR2 (0.73) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL10456747 0.89 CYSLTR2 (0.73) CYSLTR2CYSLTR1PPARGPPARAPPARD
L-649923 SCHEMBL10923568 0.84 CYSLTR2 (0.98) CYSLTR2CYSLTR1PPARGPPARAPPARD
L-649923 SCHEMBL11070503 0.84 CYSLTR2 (0.98) CYSLTR2CYSLTR1PPARGPPARAPPARD
L-649923 SCHEMBL9733531 0.84 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733632 0.82 CYSLTR2 (0.73) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733525 0.80 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARGPPARAPPARD

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-5135940-A Antiallegens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1992-08-04 US disclosed