SCHEMBL2623274

SCHEMBL2623274

[3H]c1cccc(N(c2ccc(Oc3ccccc3)cc2)c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CETP P11597 2/20 0.36
MCL1 Q07820 2/20 0.35
BCL2L1 Q07817 1/20 0.35
GSTP1 P09211 1/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
LTA4H P09960 4/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TNK2 Q07912 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL2623314 0.91 PTGES (0.39) PGRFFAR1FFAR4CETPMCL1
SCHEMBL2623313 0.91 PTGES (0.39) PGRFFAR1FFAR4CETPMCL1
SCHEMBL2623289 0.91 PTGES (0.39) PGRFFAR1FFAR4CETPMCL1
SCHEMBL2623281 0.91 FFAR4 (0.45) PGRFFAR1FFAR4CETPMCL1
SCHEMBL2623285 0.91 PTGES (0.39) PGRFFAR1FFAR4CETPMCL1
SCHEMBL18903838 0.91 LTA4H (0.41) PGRFFAR1FFAR4CETPMCL1
SCHEMBL2623363 0.90 FFAR4 (0.40) PGRFFAR1FFAR4CETPMCL1
SCHEMBL2623288 0.90 GSTP1 (0.39) PGRFFAR1FFAR4CETPGSTP1
SCHEMBL2623287 0.90 GSTP1 (0.39) PGRFFAR1FFAR4CETPGSTP1
SCHEMBL2623369 0.90 SCN9A (0.39) FFAR1FFAR4MCL1GSTP1PTGES

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