SCHEMBL2623281

SCHEMBL2623281

[3H]c1cccc(N(c2ccccc2)c2ccc(Oc3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.45
FFAR1 O14842 3/20 0.45
GSTP1 P09211 1/20 0.41
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
CETP P11597 3/20 0.39
MAOB P27338 1/20 0.37
PGR P06401 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
MCL1 Q07820 2/20 0.35
BCL2L1 Q07817 1/20 0.35
SCN9A Q15858 1/20 0.34
LTA4H P09960 1/20 0.34
TSHR P16473 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
SCHEMBL2623363 0.96 FFAR4 (0.40) FFAR4FFAR1GSTP1PTGESALOX5
SCHEMBL2623289 0.94 PTGES (0.39) FFAR4FFAR1GSTP1PTGESALOX5
SCHEMBL2623314 0.94 PTGES (0.39) FFAR4FFAR1GSTP1PTGESALOX5
SCHEMBL2623313 0.94 PTGES (0.39) FFAR4FFAR1GSTP1PTGESALOX5
SCHEMBL2623285 0.94 PTGES (0.39) FFAR4FFAR1GSTP1PTGESALOX5
SCHEMBL2623288 0.93 GSTP1 (0.39) FFAR4FFAR1GSTP1PTGESALOX5
SCHEMBL2623287 0.93 GSTP1 (0.39) FFAR4FFAR1GSTP1PTGESALOX5
SCHEMBL2623274 0.91 PGR (0.36) FFAR4FFAR1GSTP1PTGESALOX5
SCHEMBL2623240 0.91 PTGES (0.39) FFAR4FFAR1GSTP1PTGESALOX5
SCHEMBL2623255 0.91 PTGES (0.39) FFAR4FFAR1GSTP1PTGESALOX5

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