SCHEMBL8520804

SCHEMBL8520804

CCCCCCCC(=O)c1ccc(CCC(COC(C)=O)(COC(C)=O)CC(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.45
THRB P10828 5/20 0.45
HSD17B3 P37058 6/20 0.44
STS P08842 4/20 0.43
TNNC1 P63316 5/20 0.41
SGPL1 O95470 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
GPR183 P32249 1/20 0.41
CERS2 Q96G23 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 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
SCHEMBL6504731 0.85 S1PR1 (0.47) TNNC1SGPL1S1PR4S1PR1GPR183
SCHEMBL17301080 0.83 THRA (0.50) THRATHRBHSD17B3STS
SCHEMBL15894876 0.79 THRA (0.46) THRATHRBHSD17B3STSS1PR1
SCHEMBL6527018 0.79 RARB (0.41) TNNC1SGPL1S1PR4S1PR1GPR183
SCHEMBL7622400 0.78 THRA (0.46) THRATHRBHSD17B3STSS1PR1
SCHEMBL7623199 0.78 THRA (0.46) THRATHRBHSD17B3STSS1PR1
SCHEMBL7622013 0.78 THRA (0.46) THRATHRBHSD17B3STSS1PR1
SCHEMBL7714029 0.77 THRA (0.45) THRATHRBHSD17B3STSS1PR1
SCHEMBL7613374 0.77 THRA (0.45) THRATHRBHSD17B3STSS1PR1
SCHEMBL4293988 0.77 THRA (0.57) THRATHRBHSD17B3STS

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
JP-11310556-A None JP disclosed