SCHEMBL8955658

SCHEMBL8955658

CCCCCOc1cccc(OCCCC(=O)OCC)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.63
CYSLTR1 Q9Y271 3/20 0.63
PPARA Q07869 2/20 0.56
PPARG P37231 1/20 0.56
PLA2G4B P0C869 2/20 0.54
BRD4 O60885 1/20 0.54
FAAH O00519 1/20 0.54
SMPD1 P17405 3/20 0.53
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
EPHX2 P34913 1/20 0.52
PDK2 Q15119 1/20 0.51

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
SCHEMBL12698684 0.88 ALDH1A1 (0.67) CYSLTR2CYSLTR1PPARGBRD4FAAH
SCHEMBL3934739 0.87 PPARA (0.74) CYSLTR2CYSLTR1PPARAPPARGPLA2G4B
SCHEMBL10054169 0.87 L3MBTL1 (0.62) CYSLTR2CYSLTR1BRD4FAAHALDH1A1
SCHEMBL3173429 0.85 CYSLTR2 (0.60) CYSLTR2CYSLTR1BRD4FAAHTSHR
SCHEMBL3937044 0.85 SMPD1 (0.60) CYSLTR2CYSLTR1PPARAPPARGPLA2G4B
SCHEMBL2137203 0.84 MAPK1 (0.66) CYSLTR2CYSLTR1PPARAPPARGBRD4
SCHEMBL8279022 0.84 TSHR (0.57) CYSLTR2CYSLTR1PPARAPPARGBRD4
SCHEMBL987722 0.84 CYSLTR2 (0.56) CYSLTR2CYSLTR1BRD4FAAHTSHR
SCHEMBL853578 0.84 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARAPPARGBRD4
SCHEMBL13986590 0.84 L3MBTL1 (0.59) PPARAPPARGBRD4ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed