SCHEMBL5505103

SCHEMBL5505103

CCOC(=O)Cc1[nH]c2ccc(O)c(-c3ccc(N(CC)CC)cc3)c2c1C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALOX5 P09917 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 4/20 0.36
AR P10275 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL5506452 0.86 ALDH1A1 (0.48) LMNAMAPTALOX5KDM4EGAA
SCHEMBL5504449 0.84 ALOX5 (0.39) MAPTALOX5TP53MDM2MEN1
SCHEMBL5501345 0.83 POLB (0.42) LMNAMAPTALOX5KDM4EGAA
SCHEMBL5266671 0.83 POLB (0.41) LMNAMAPTALOX5KDM4EGAA
SCHEMBL5511414 0.82 TP53 (0.41) LMNAMAPTALOX5TP53MDM2
SCHEMBL5509130 0.81 DHFR (0.38) LMNAMAPTALOX5KDM4EGAA
SCHEMBL5512279 0.80 TLR9 (0.38) MAPTALOX5GAAARTP53
SCHEMBL5507785 0.79 ALOX5 (0.42) LMNAMAPTALOX5KDM4EGAA
SCHEMBL334975 0.79 HSD17B10 (0.48) LMNAMAPTKDM4EGAATP53
SCHEMBL1414526 0.75 GAA (0.35) LMNAMAPTALOX5KDM4EGAA

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