SCHEMBL5505357

SCHEMBL5505357

CC(C)Oc1ccc(-c2c(Oc3ncccc3C(=O)O)ccc3[nH]c(CC(=O)O)c(C(=O)O)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.37
GAA P10253 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
MAPK8 P45983 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PPARD Q03181 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL5506192 0.86 MEN1 (0.37) TDP1MAPT
SCHEMBL5507821 0.82 ACACB (0.39) GAAFFAR4LMNAKDM4EMCL1
SCHEMBL5501123 0.79 MAPT (0.37) TDP1MAPT
SCHEMBL5502096 0.79 BRD4 (0.39) LMNAPPARD
SCHEMBL5574004 0.78 KMT2A (0.39) LMNAMCL1
SCHEMBL5501032 0.78 THRA (0.40) GAAFFAR4ALDH1A1PPARDMAPT
SCHEMBL5267628 0.73 PPARD (0.39) ALDH1A1TDP1PPARDMAPT
SCHEMBL5502236 0.73 FFAR1 (0.38) PPARD
SCHEMBL5502760 0.72 MAP2 (0.39) ALDH1A1TDP1KDM4EMAPT
SCHEMBL5501141 0.71 ALDH1A1 (0.37) GAALMNAALDH1A1TDP1KDM4E

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