SCHEMBL4733464

SCHEMBL4733464

CCCCCOOOC(=O)C(=CC(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.37
TSHR P16473 2/20 0.32
CES2 O00748 2/20 0.31
NAAA Q02083 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL4729700 0.95 HCAR2 (0.36) HCAR2TSHR
SCHEMBL7161015 0.75
SCHEMBL4729753 0.74 NAAA (0.40) HCAR2NAAA
SCHEMBL7092002 0.74 NAAA (0.38) HCAR2TSHRCES2NAAA
SCHEMBL4734884 0.74 HCAR2 (0.38) HCAR2TSHRNAAA
SCHEMBL5005110 0.74
SCHEMBL1067866 0.73 NAAA (0.41) HCAR2TSHRCES2NAAA
SCHEMBL4732018 0.73 ALDH1A1 (0.31) TSHR
SCHEMBL4731687 0.72 HCAR2 (0.36) HCAR2TSHR
SCHEMBL4733462 0.72 HCAR2 (0.38) HCAR2TSHRCES2NAAAS1PR1

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
WO-2008057705-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-05-15 WO disclosed