SCHEMBL5050851

SCHEMBL5050851

CCCCCCOC(=O)C(C)=CP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
LPAR3 Q9UBY5 4/20 0.46
LPAR1 Q92633 3/20 0.46
LPAR2 Q9HBW0 3/20 0.46
NAAA Q02083 1/20 0.46
HCAR2 Q8TDS4 2/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.43
FAAH O00519 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CES2 O00748 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
SCHEMBL5057254 0.93 ALDH1A1 (0.48) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL5059056 0.86 HCAR2 (0.37) TSHRLPAR3LPAR1LPAR2HCAR2
Phosphoric Acid SCHEMBL10719086 0.83 TSHR (0.54) TSHRLPAR3LPAR1LPAR2NAAA
Phosphoric Acid SCHEMBL10719091 0.83 TSHR (0.54) TSHRLPAR3LPAR1LPAR2NAAA
Phosphoric Acid SCHEMBL10716501 0.83 TSHR (0.54) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL10719081 0.81 TSHR (0.51) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL10607403 0.80 TSHR (0.63) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL4147264 0.80 TSHR (0.63) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL10602355 0.80 TSHR (0.63) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL1831155 0.80 TSHR (0.63) TSHRNAAAHCAR2RAD52NPSR1

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-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed