SCHEMBL5510893

SCHEMBL5510893

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.39
POLB P06746 3/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GCK P35557 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
GAA P10253 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
SCHEMBL5506207 0.92 TP53 (0.41) POLBMAPTALDH1A1ALOX5MEN1
SCHEMBL5503574 0.91 MEN1 (0.39) PPARDPOLBMAPTALDH1A1ALOX5
SCHEMBL5270824 0.91 PTPN1 (0.37) PPARDPOLBMAPTALDH1A1ALOX5
SCHEMBL5503551 0.90 LMNA (0.39) PPARDMAPTKDM4EGCK
SCHEMBL5509130 0.90 DHFR (0.38) POLBMAPTALDH1A1ALOX5MEN1
SCHEMBL5519196 0.89 CSF1R (0.38) POLBMAPTALDH1A1ALOX5MEN1
SCHEMBL5524203 0.87 MEN1 (0.41) POLBMAPTALDH1A1ALOX5MEN1
SCHEMBL5510025 0.87 LGALS8 (0.38) POLBMAPTALOX5MEN1KMT2A
SCHEMBL5508776 0.86 POLB (0.41) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL5501345 0.84 POLB (0.42) POLBMAPTALDH1A1ALOX5MEN1

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