SCHEMBL6498700

SCHEMBL6498700

COc1ccccc1CNC(=O)c1cc(CC2SC(=O)NC2=O)cnc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
RCE1 Q9Y256 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MAPK1 P28482 1/20 0.44
NLRP3 Q96P20 1/20 0.43
MAPT P10636 1/20 0.43
CA2 P00918 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PPARA Q07869 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
SCHEMBL6506024 0.91 MAPT (0.47) HPGDLMNAALDH1A1TSHRPKM
SCHEMBL6505651 0.85 HPGD (0.49) HPGDLMNAALDH1A1KDM4ETSHR
SCHEMBL6503133 0.83 LMNA (0.56) HPGDLMNAALDH1A1TSHRMAPT
SCHEMBL6495951 0.79 HPGD (0.53) HPGDLMNAALDH1A1KDM4EGAA
SCHEMBL6498811 0.77 HPGD (0.48) HPGDLMNAALDH1A1KDM4EHSD17B10
SCHEMBL6494246 0.76 LMNA (0.44) HPGDLMNAALDH1A1TSHRPKM
SCHEMBL6374942 0.76 KMT2A (0.51) HPGDALDH1A1KDM4EPKMROCK2
SCHEMBL305177 0.76 PTPN1 (0.49) HPGDLMNAKDM4ECA2ROCK2
SCHEMBL6382478 0.76 CYP1A2 (0.62) HPGDPOLBALDH1A1KDM4ETSHR
SCHEMBL6496044 0.76 PTPN1 (0.47) LMNAALDH1A1CA2PTPN1

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