SCHEMBL11566978

SCHEMBL11566978

COc1ccc(OCCCCCCCC(C(C)=O)C(=O)O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.50
PPARA Q07869 8/20 0.45
PPARD Q03181 5/20 0.44
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
S1PR4 O95977 1/20 0.43
PPARG P37231 5/20 0.43
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL11319008 0.95 MRGPRX4 (0.49) MRGPRX4PPARAPPARDCYSLTR2CYSLTR1
SCHEMBL11567730 0.91 MRGPRX4 (0.46) MRGPRX4PPARACYSLTR2CYSLTR1S1PR4
SCHEMBL11408460 0.89 L3MBTL1 (0.53) MRGPRX4PPARACYSLTR2CYSLTR1S1PR4
SCHEMBL11566926 0.89 L3MBTL1 (0.53) MRGPRX4PPARACYSLTR2CYSLTR1S1PR4
SCHEMBL11566169 0.89 L3MBTL1 (0.53) MRGPRX4PPARACYSLTR2CYSLTR1S1PR4
SCHEMBL11564232 0.89 L3MBTL1 (0.53) MRGPRX4PPARACYSLTR2CYSLTR1S1PR4
SCHEMBL11566141 0.89 L3MBTL1 (0.53) MRGPRX4PPARACYSLTR2CYSLTR1S1PR4
SCHEMBL11567003 0.87 L3MBTL1 (0.54) MRGPRX4PPARAS1PR4MAPTTDP1
SCHEMBL11309550 0.85 MRGPRX4 (0.47) MRGPRX4PPARAPPARDCYSLTR2CYSLTR1
Arildone SCHEMBL146967 0.85 MRGPRX4 (0.47) MRGPRX4PPARAPPARDCYSLTR2CYSLTR1

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-4171376-A Aryloxyalkyl keto-esters STERLING DRUG INC. (US) 1979-10-16 US disclosed