SCHEMBL7303987

SCHEMBL7303987

CCC[N]C(=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NAAA Q02083 2/20 0.41
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
EPHX1 P07099 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 3/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8386944 0.98 NAAA (0.38) CES2CES1NAAAHSD11B1ALDH1A1
SCHEMBL8383242 0.94 NAAA (0.34) CES2CES1NAAAHSD11B1ALDH1A1
SCHEMBL1679375 0.89
SCHEMBL7299667 0.88 NAAA (0.46) CES2CES1NAAAEPHX1
SCHEMBL7312858 0.86 NAAA (0.49) CES2CES1NAAAEPHX1
SCHEMBL7309106 0.85 NAAA (0.51) NAAAEPHX1
SCHEMBL7331382 0.83 CES2 (0.44) CES2CES1NAAAHSD11B1ALDH1A1
SCHEMBL7334716 0.83 CES2 (0.44) CES2CES1NAAAHSD11B1ALDH1A1
SCHEMBL7339919 0.80 CES2 (0.40) CES2CES1NAAAHSD11B1ALDH1A1
SCHEMBL4515972 0.79 CES2 (0.41) CES2CES1HSD11B1ALDH1A1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed