SCHEMBL5508776

SCHEMBL5508776

CCOC(=O)Cc1[nH]c2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3ccc(OC)cc3)c2c1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 3/20 0.39
HSD17B10 Q99714 2/20 0.39
THRB P10828 1/20 0.39
FPR1 P21462 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL5524203 0.87 MEN1 (0.41) POLBKDM4EALDH1A1MAPTHPGD
SCHEMBL5510893 0.86 PPARD (0.39) POLBGAAKDM4EALDH1A1MAPT
SCHEMBL5506207 0.85 TP53 (0.41) POLBKDM4EALDH1A1MAPTHPGD
SCHEMBL5503574 0.84 MEN1 (0.39) POLBGAAKDM4EALDH1A1MAPT
SCHEMBL5270824 0.84 PTPN1 (0.37) POLBKDM4EALDH1A1MAPTMEN1
SCHEMBL5519196 0.84 CSF1R (0.38) POLBALDH1A1MAPTHPGDMEN1
SCHEMBL5516043 0.83 POLB (0.43) POLBGAAKDM4EALDH1A1MAPT
SCHEMBL5509130 0.83 DHFR (0.38) POLBGAAKDM4EALDH1A1MAPT
SCHEMBL5503249 0.83 KDM4E (0.37) POLBGAAKDM4EALDH1A1MAPT
SCHEMBL5501894 0.81 POLB (0.39) POLBKDM4EALDH1A1MAPTHPGD

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