SCHEMBL5504449

SCHEMBL5504449

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
MAP3K5 Q99683 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
NEK1 Q96PY6 13/20 0.39
CSF1R P07333 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
SCHEMBL5266671 0.88 POLB (0.41) ALOX5MAP3K5MEN1POLBMAPT
SCHEMBL5506452 0.87 ALDH1A1 (0.48) ALOX5MAP3K5MEN1POLBMAPT
SCHEMBL5505103 0.84 LMNA (0.39) ALOX5MAP3K5MEN1MAPTKMT2A
SCHEMBL5501345 0.84 POLB (0.42) ALOX5MEN1POLBMAPTKMT2A
SCHEMBL5508283 0.83 TP53 (0.42) ALOX5MEN1POLBMAPTKMT2A
SCHEMBL5512279 0.81 TLR9 (0.38) ALOX5MAPTSMN1; SMN2TP53MDM2
SCHEMBL5503574 0.80 MEN1 (0.39) ALOX5MAP3K5MEN1POLBMAPT
SCHEMBL5507785 0.80 ALOX5 (0.42) ALOX5MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL334975 0.79 HSD17B10 (0.48) MEN1POLBMAPTKMT2ASMN1; SMN2
SCHEMBL5503249 0.78 KDM4E (0.37) MAP3K5MEN1POLBMAPTKMT2A

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