SCHEMBL28008647

SCHEMBL28008647

CC1(C(=O)O)C=CC=C(C(=O)O)C1.CCCCCCCCCc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.45
GPR84 Q9NQS5 5/20 0.32
HCAR2 Q8TDS4 2/20 0.32
HRH4 Q9H3N8 1/20 0.31
RARB P10826 1/20 0.30
HCAR3 P49019 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
SCHEMBL27683158 1.00 TBXAS1 (0.45) TBXAS1GPR84HCAR2HRH4RARB
SCHEMBL27870471 1.00 TBXAS1 (0.45) TBXAS1GPR84HCAR2HRH4RARB
SCHEMBL27683218 1.00 TBXAS1 (0.45) TBXAS1GPR84HCAR2HRH4RARB
SCHEMBL27870469 1.00 TBXAS1 (0.45) TBXAS1GPR84HCAR2HRH4RARB
SCHEMBL27804623 1.00 TBXAS1 (0.45) TBXAS1GPR84HCAR2HRH4RARB
SCHEMBL27717815 0.96 TBXAS1 (0.41) TBXAS1HRH4
SCHEMBL27729672 0.95 TBXAS1 (0.41) TBXAS1
Water SCHEMBL28065020 0.95 TBXAS1 (0.41) TBXAS1HRH4
SCHEMBL27761649 0.91 TBXAS1 (0.38) TBXAS1
Water SCHEMBL28065156 0.90 TBXAS1 (0.37) TBXAS1

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
CN-104649978-A Compound, nonaqueous electrolyte, and electricity storage device SEMICONDUCTOR ENERGY LAB 2015-05-27 CN disclosed