SCHEMBL5582211

SCHEMBL5582211

CCCCCCCCCCCCCCCC(=O)C(O)C(=O)CO

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.55
CES1 P23141 3/20 0.48
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL2139859 1.00 CES2 (0.55) CES2CES1MEN1FAAHMAPK1
Phosphoric Acid SCHEMBL2935023 0.94 CES2 (0.50) CES2CES1MEN1FAAHMAPK1
Phosphoric Acid SCHEMBL2926558 0.94 CES2 (0.50) CES2CES1MEN1FAAHMAPK1
SCHEMBL11403890 0.91 CES2 (0.64) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL15365007 0.89 TERT (0.56) MEN1FAAHKMT2APPARGPPARD
Phosphoric Acid SCHEMBL2936593 0.85 FABP3 (0.54) MEN1FAAHKMT2APPARGPPARD
SCHEMBL9350726 0.85 CES2 (0.56) CES2CES1MEN1FAAHMAPK1
SCHEMBL8042102 0.83 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL10797844 0.83 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL9840359 0.81 CES2 (0.57) CES2MEN1KMT2AALDH1A1TSHR

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-20070059789-A1 Process for the enzymatic synthesis of ethers GOLDSCHMIDT GMBH (DE) 2007-03-15 US disclosed
US-5750379-A Process for the production of carthamin TOYO INK MANUFACTURING CO., LTD. (JP) 1998-05-12 US disclosed