SCHEMBL6503843

SCHEMBL6503843

COc1ccccc1CNC(=O)c1ccc(OC(C)C)c(CC2SC(=O)NC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 1/20 0.48
HDAC1 Q13547 1/20 0.47
LMNA P02545 2/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
HTT P42858 1/20 0.47
PPARG P37231 1/20 0.46
CA2 P00918 1/20 0.45
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL6496500 0.88 HPGD (0.53) MAPTPOLBHPGDGAAHDAC1
SCHEMBL6504802 0.85 HTT (0.55) MAPTPOLBHPGDGAAHDAC1
SCHEMBL6495951 0.79 HPGD (0.53) MAPTHPGDGAALMNAHTT
SCHEMBL6505651 0.76 HPGD (0.49) MAPTHPGDGAALMNAHTT
SCHEMBL6503004 0.76 HPGD (0.46) MAPTPOLBHPGDGAALMNA
SCHEMBL13846776 0.76 CA2 (0.69) MAPTPOLBGAALMNAPPARG
SCHEMBL6497335 0.75 MEN1 (0.53) MAPTPOLBHPGDGAAHDAC1
SCHEMBL6498811 0.75 HPGD (0.48) MAPTHPGDGAALMNAROCK2
SCHEMBL6498700 0.73 HPGD (0.47) MAPTPOLBHPGDGAALMNA
SCHEMBL6506168 0.73 PPARD (0.61) PPARG

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-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed