SCHEMBL6657166

SCHEMBL6657166

[CH2]CNc1c(OCCCCCCCCCC)c(=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.36
THRB P10828 4/20 0.36
GPR84 Q9NQS5 2/20 0.35
NR5A1 Q13285 1/20 0.34
PLA2G2A P14555 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
LPAR2 Q9HBW0 4/20 0.33
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
POLB P06746 1/20 0.33
PLA2G4B P0C869 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9809630 0.78 THRA (0.46) THRATHRBGPR84NR5A1PLA2G2A
SCHEMBL26278000 0.78 THRA (0.46) THRATHRBGPR84NR5A1PLA2G2A
SCHEMBL9809613 0.78 THRA (0.46) THRATHRBGPR84NR5A1PLA2G2A
SCHEMBL26278001 0.78 THRA (0.46) THRATHRBGPR84NR5A1PLA2G2A
SCHEMBL9809623 0.78 THRA (0.46) THRATHRBGPR84NR5A1PLA2G2A
SCHEMBL6658770 0.78 THRA (0.46) THRATHRBGPR84NR5A1PLA2G2A
SCHEMBL9809602 0.76 THRA (0.44) THRATHRBGPR84NR5A1PLA2G2A
SCHEMBL25025146 0.73 POLB (0.41) GPR84TSHRPOLBGAA
SCHEMBL31163657 0.73 POLB (0.41) GPR84TSHRPOLBGAA
SCHEMBL22301648 0.73 POLB (0.41) GPR84TSHRPOLBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1438328-A1 NOVEL METHOD FOR RECOVERY OF SQUARIC ACID MONO ESTERS IN BIOCONJUGATION CHEMISTRY Lundonia Biotech AB (SE) 2004-07-21 EP disclosed
WO-2003035672-A1 NOVEL METHOD FOR RECOVERY OF SQUARIC ACID MONO ESTERS IN BIOCONJUGATION CHEMISTRY LUNDONIA BIOTECH AB (SE) 2003-05-01 WO disclosed