SCHEMBL16865147

SCHEMBL16865147

CC1CC1(C)C(=O)OCCCCCCOC(=O)C1(C)CC1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX1 P07099 1/20 0.33
ACHE P22303 7/20 0.33
BCHE P06276 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX2 P34913 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5789967 0.82 BCHE (0.37) ACHEBCHENPSR1SMN1; SMN2
SCHEMBL5789744 0.82 TSHR (0.35) TSHRALDH1A1ACHEBCHENPSR1
SCHEMBL5788644 0.82 BCHE (0.32) ACHEBCHENPSR1SMN1; SMN2
SCHEMBL18071114 0.79 F10 (0.40) ALDH1A1
SCHEMBL9313180 0.79 F10 (0.40) ALDH1A1
SCHEMBL28060302 0.79 NAAA (0.41) NAAATSHREPHX1NPSR1EPHX2
SCHEMBL11169456 0.77 NAAA (0.46) NAAATSHRALDH1A1EPHX1ACHE
SCHEMBL19227168 0.75 FAAH (0.47) NAAAEPHX2
SCHEMBL10926744 0.74 NAAA (0.43) NAAATSHRALDH1A1EPHX1NPSR1
SCHEMBL15423564 0.72

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-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed