SCHEMBL5269995

SCHEMBL5269995

CCCCCCCCCCCCCCCCCCCCCCSc1[c]cccc1SCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
EPHX2 P34913 1/20 0.39
SOAT1 P35610 9/20 0.38
GPR84 Q9NQS5 1/20 0.36
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL5267345 1.00 PTGS2 (0.47) PTGS2CYSLTR2CYSLTR1EPHX2SOAT1
SCHEMBL5268357 1.00 PTGS2 (0.47) PTGS2CYSLTR2CYSLTR1EPHX2SOAT1
SCHEMBL5266136 1.00 PTGS2 (0.47) PTGS2CYSLTR2CYSLTR1EPHX2SOAT1
SCHEMBL15005130 0.85 PTGS2 (0.41) PTGS2SOAT1
SCHEMBL2969910 0.76 PTGS2 (0.46) PTGS2CYSLTR2CYSLTR1EPHX2SOAT1
SCHEMBL2973952 0.76 PTGS2 (0.33) PTGS2SOAT1TLR8
SCHEMBL2969907 0.76 PTGS2 (0.33) PTGS2SOAT1TLR8
SCHEMBL2966818 0.76 PTGS2 (0.33) PTGS2SOAT1TLR8
SCHEMBL2973783 0.76 PTGS2 (0.33) PTGS2SOAT1TLR8
SCHEMBL2966821 0.76 PTGS2 (0.43) PTGS2CYSLTR2CYSLTR1EPHX2SOAT1

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
EP-1843407-A1 Liquid crystalline rylenetetracarboxylic acid derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 2007-10-10 EP disclosed