SCHEMBL6503416

SCHEMBL6503416

C=C1NC(=O)C(Cc2ccc(OC)c(CC(=O)Nc3ccc(Cl)cc3Cl)c2)S1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LPAR1 Q92633 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
PTPN1 P18031 2/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6495930 0.92 MEN1 (0.46) POLBGAAKDM4ELPAR1MEN1
SCHEMBL6236094 0.77 MEN1 (0.55) POLBKDM4EMEN1KMT2ALMNA
SCHEMBL6503419 0.75 ALDH1A1 (0.42) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8981951 0.74 ALDH1A1 (0.48) GAALMNAPTPN1ALDH1A1NPSR1
SCHEMBL8981959 0.74 ALDH1A1 (0.48) GAALMNAPTPN1ALDH1A1NPSR1
SCHEMBL8981944 0.74 ALDH1A1 (0.48) GAALMNAPTPN1ALDH1A1NPSR1
SCHEMBL7681570 0.73 PTPN1 (0.53) KMT2APTPN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL6505410 0.72 PPARA (0.62) GAAKDM4E
SCHEMBL6496834 0.72 GAA (0.54) POLBGAAKDM4ELPAR1MEN1
SCHEMBL6504914 0.72 PPARA (0.52) POLBGAAKDM4ELPAR1MEN1

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