SCHEMBL7439595

SCHEMBL7439595

COC(=O)c1ccccc1-c1nnnn1C(C(=O)OCc1ccccc1)C(=O)C(N)CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.36
MAPT P10636 2/20 0.33
LTA4H P09960 1/20 0.33
HTT P42858 1/20 0.33
CCKAR P32238 1/20 0.32
CCKBR P32239 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
SYK P43405 1/20 0.32
SLC7A5 Q01650 1/20 0.32
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
MAP3K5 Q99683 1/20 0.31

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
SCHEMBL7441596 0.93 GHSR (0.34) GHSRMAPTLTA4HCCKARCCKBR
SCHEMBL7431147 0.88 MAPT (0.40) GHSRMAPTHTTPOLBSYK
SCHEMBL7435675 0.86 MAPT (0.37) GHSRMAPTLTA4HCCKARCCKBR
SCHEMBL7441643 0.86 CCKAR (0.34) GHSRMAPTLTA4HCCKARCCKBR
SCHEMBL7433678 0.85 GHSR (0.37) GHSRMAPTLTA4HCCKARCCKBR
SCHEMBL7445782 0.85 CYP1A2 (0.35) GHSRMAPTLTA4HHTTXBP1
SCHEMBL7441953 0.84 GHSR (0.35) GHSRMAPTLTA4HCCKARCCKBR
SCHEMBL7442699 0.83 MAPT (0.35) GHSRMAPTLTA4HCCKARCCKBR
SCHEMBL7433464 0.83 MAP3K5 (0.33) GHSRMAPTLTA4HCCKARCCKBR
SCHEMBL7433296 0.80 CACNA1B (0.32) GHSRMAPTLTA4HCCKARCCKBR

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-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed