SCHEMBL6496500

SCHEMBL6496500

COc1ccccc1CNC(=O)c1ccc(Oc2ccccc2)c(CC2SC(=O)NC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
CA2 P00918 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
PPARG P37231 5/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 3/20 0.47
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6503843 0.88 MAPT (0.48) HPGDGAAHTTMAPTPOLB
SCHEMBL6504802 0.86 HTT (0.55) HPGDGAAHTTMAPTPOLB
SCHEMBL6495951 0.79 HPGD (0.53) HPGDGAAHTTMAPTCA2
SCHEMBL5245244 0.78 CA2 (0.55) MAPTCA2PPARGPPARDPPARA
SCHEMBL6505651 0.76 HPGD (0.49) HPGDGAAHTTMAPTCA2
SCHEMBL13846776 0.76 CA2 (0.69) GAAMAPTPOLBCA2LMNA
SCHEMBL6497335 0.75 MEN1 (0.53) HPGDGAAHTTMAPTPOLB
SCHEMBL6498811 0.75 HPGD (0.48) HPGDGAAHTTMAPTCA2
SCHEMBL3306757 0.75 HTT (0.76) HPGDGAAHTTMAPTHDAC1
SCHEMBL6378019 0.75 PPARG (0.58) HPGDCA2PPARGPPARDPPARA

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