SCHEMBL6558359

SCHEMBL6558359

CCOC(Cn1c(-c2cccs2)ncc(C(=O)O)c1=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
ELANE P08246 8/20 0.42
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 4/20 0.39
FOS P01100 2/20 0.38
JUN P05412 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 3/20 0.36
RECQL P46063 2/20 0.36

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
SCHEMBL6557685 0.91 KDM4E (0.47) ELANELMNAMAPK1KDM4EFOS
SCHEMBL7293593 0.89 ERCC1 (0.44) ERCC1FEN1ERCC4ELANELMNA
SCHEMBL6556361 0.83 MAPT (0.42) LMNAMAPK1KDM4ENFKB1NFKB2
SCHEMBL7291734 0.82 KDM4E (0.47) ELANELMNAMAPK1KDM4EFOS
SCHEMBL6556504 0.81 CSNK1D (0.37) MAPK1KDM4EFOSJUNNFKB1
SCHEMBL6556282 0.80 KDM4E (0.38) KDM4EPPARAALDH1A1HPGDGAA
SCHEMBL6557546 0.80 CTRC (0.42) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL6556406 0.79 KDM4E (0.37) LMNAMAPK1KDM4EALDH1A1HPGD
SCHEMBL6558315 0.79 MEN1 (0.42) ELANELMNAKDM4EALDH1A1NPC1
SCHEMBL6556302 0.79 ELANE (0.62) ELANE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed