SCHEMBL13655913

SCHEMBL13655913

CCOC(C=O)Cc1cccc(NCCCc2ccc(OS(C)(=O)=O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.40
PPARG P37231 6/20 0.40
SIGMAR1 Q99720 3/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.35
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.32
FAAH O00519 1/20 0.32
SLC2A1 P11166 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL13655975 0.89 PPARG (0.44) PPARAPPARGSIGMAR1KMT2APOLB
SCHEMBL13655821 0.87 MTNR1A (0.38) PPARAPPARGSIGMAR1GRIN1KCNH2
SCHEMBL4073429 0.84 PPARA (0.60) PPARAPPARG
SCHEMBL4076444 0.83 PPARA (0.49) PPARAPPARGKMT2AFAAH
SCHEMBL13655922 0.83 PPARA (0.47) PPARAPPARGKCNH2
SCHEMBL13655828 0.83 PPARA (0.47) PPARAPPARGKCNH2
SCHEMBL14305541 0.79 PPARA (0.38) PPARAPPARGSIGMAR1GRIN1KCNH2
SCHEMBL14305138 0.78 MTNR1A (0.40) FAAHSLC2A1
SCHEMBL13655792 0.77 PPARA (0.50) PPARAPPARGSIGMAR1GRIN1KCNH2
SCHEMBL13655823 0.77 PPARA (0.50) PPARAPPARGSIGMAR1GRIN1KCNH2

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
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed