SCHEMBL4961998

SCHEMBL4961998

CCCCCCCN(Cc1ccc(F)cc1F)C(=O)COc1ccc(CCOc2ccccc2C(=O)OCC)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.37
HTR2A P28223 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
SCHEMBL4964263 0.95 HSP90AA1 (0.44) KDM4EALDH1A1MAPTHSP90AA1HTT
SCHEMBL4961660 0.93 PPARG (0.45) KDM4EALDH1A1NPSR1
SCHEMBL4964264 0.86 KDM4E (0.41) KDM4EALDH1A1HTR2A
SCHEMBL4961989 0.85 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2AACHE
SCHEMBL4964280 0.84 KDM4E (0.46) KDM4EALDH1A1HTR2A
SCHEMBL4964423 0.78 HTR2A (0.42) MAPTHTTHTR2A
SCHEMBL4964260 0.77 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2AACHE
SCHEMBL6443725 0.76 SIGMAR1 (0.44) ALDH1A1MAPTHSP90AA1HTTNPSR1
SCHEMBL4965190 0.75 HTR2A (0.43) ALDH1A1MAPTHTR2A
SCHEMBL4963522 0.74 PPARG (0.43) MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517679-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 EP disclosed