SCHEMBL2623314

SCHEMBL2623314

[3H]c1cccc(N(c2ccc(Oc3cccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(Oc6cccc(N(c7ccc(-c8ccccc8)cc7)c7cccc([3H])c7)c6)cc5)cc4)c3)cc2)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 1/20 0.39
CETP P11597 4/20 0.39
GSTP1 P09211 1/20 0.38
MAOB P27338 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
MCL1 Q07820 1/20 0.35
SCN9A Q15858 1/20 0.34
LTA4H P09960 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2623289 1.00 PTGES (0.39) PTGESALOX5FFAR4FFAR1CETP
SCHEMBL2623313 1.00 PTGES (0.39) PTGESALOX5FFAR4FFAR1CETP
SCHEMBL2623285 1.00 PTGES (0.39) PTGESALOX5FFAR4FFAR1CETP
SCHEMBL2623287 0.99 GSTP1 (0.39) PTGESALOX5FFAR4FFAR1CETP
SCHEMBL2623288 0.99 GSTP1 (0.39) PTGESALOX5FFAR4FFAR1CETP
SCHEMBL2623245 0.97 PTGES (0.39) PTGESALOX5FFAR4FFAR1CETP
SCHEMBL2623240 0.97 PTGES (0.39) PTGESALOX5FFAR4FFAR1CETP
SCHEMBL2623255 0.97 PTGES (0.39) PTGESALOX5FFAR4FFAR1CETP
SCHEMBL2623363 0.96 FFAR4 (0.40) PTGESALOX5FFAR4FFAR1CETP
SCHEMBL2623281 0.94 FFAR4 (0.45) PTGESALOX5FFAR4FFAR1CETP

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
US-20120091443-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20100045174-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-25 US disclosed