SCHEMBL5510025

SCHEMBL5510025

CCOC(=O)Cc1[nH]c2ccc(Oc3ccc(Cl)c(Cl)c3)c(-c3ccc(OC(F)(F)F)cc3)c2c1C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 2/20 0.38
LGALS3 P17931 2/20 0.38
CYP1A2 P05177 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 5/20 0.36
PTGES O14684 1/20 0.36
CSF1R P07333 1/20 0.35
TP53 P04637 1/20 0.34
MDM2 Q00987 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
SCHEMBL5519196 0.92 CSF1R (0.38) CYP1A2FFAR1FFAR4POLBMAPT
SCHEMBL5510893 0.87 PPARD (0.39) POLBMAPTMEN1KMT2AALOX5
SCHEMBL5506365 0.84 LGALS8 (0.41) LGALS8LGALS3FFAR1FFAR4
SCHEMBL5506207 0.83 TP53 (0.41) CYP1A2POLBMAPTMEN1KMT2A
SCHEMBL5501345 0.82 POLB (0.42) POLBMAPTMEN1KMT2AALOX5
SCHEMBL5503551 0.81 LMNA (0.39) MAPT
SCHEMBL5508776 0.81 POLB (0.41) CYP1A2POLBMAPTMEN1KMT2A
SCHEMBL5503574 0.80 MEN1 (0.39) FFAR1POLBMAPTMEN1KMT2A
SCHEMBL5508283 0.79 TP53 (0.42) CYP1A2POLBMAPTMEN1KMT2A
SCHEMBL5503249 0.79 KDM4E (0.37) CYP1A2POLBMAPTMEN1KMT2A

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-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed