SCHEMBL6505651

SCHEMBL6505651

COc1ccccc1CNC(=O)c1cc(CC2SC(=O)NC2=O)c(OC)nc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 7/20 0.47
CA2 P00918 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 3/20 0.46
RCE1 Q9Y256 1/20 0.46
NLRP3 Q96P20 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
MAOB P27338 1/20 0.43
PDE10A Q9Y233 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL6494246 0.91 LMNA (0.44) HPGDLMNAALDH1A1CA2PKM
SCHEMBL6498700 0.85 HPGD (0.47) HPGDLMNAALDH1A1CA2GAA
SCHEMBL6495951 0.84 HPGD (0.53) HPGDLMNAALDH1A1CA2GAA
SCHEMBL6501926 0.84 KMT2A (0.45) HPGDLMNAALDH1A1CA2PKM
SCHEMBL6498811 0.82 HPGD (0.48) HPGDLMNAALDH1A1CA2GAA
SCHEMBL6497335 0.80 MEN1 (0.53) HPGDLMNAALDH1A1CA2GAA
SCHEMBL6506747 0.77 CA2 (0.48) HPGDLMNAALDH1A1CA2KDM4E
SCHEMBL6504802 0.77 HTT (0.55) HPGDLMNACA2GAAHTT
SCHEMBL6503028 0.77 PDE10A (0.47) HPGDLMNAALDH1A1CA2GAA
SCHEMBL13846776 0.77 CA2 (0.69) LMNAALDH1A1CA2GAAMAOB

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