SCHEMBL7435675

SCHEMBL7435675

CC(C)(C)OC(=O)CC(N)C(=O)C(C(=O)OCc1ccccc1)n1nnnc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GHSR Q92847 1/20 0.36
POLB P06746 1/20 0.35
CCKAR P32238 1/20 0.35
CCKBR P32239 1/20 0.35
LTA4H P09960 1/20 0.35
ATM Q13315 1/20 0.34
MME P08473 1/20 0.34

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
SCHEMBL7433678 0.98 GHSR (0.37) MAPTXBP1NPSR1TDP1CYP1A2
SCHEMBL7431147 0.92 MAPT (0.40) MAPTGHSRPOLB
SCHEMBL7442699 0.89 MAPT (0.35) MAPTXBP1NPSR1TDP1GHSR
SCHEMBL7441953 0.89 GHSR (0.35) MAPTGHSRCCKARCCKBRLTA4H
SCHEMBL7441596 0.89 GHSR (0.34) MAPTXBP1NPSR1TDP1GHSR
SCHEMBL7441643 0.87 CCKAR (0.34) MAPTXBP1NPSR1TDP1GHSR
SCHEMBL7439595 0.86 GHSR (0.36) MAPTXBP1NPSR1TDP1GHSR
SCHEMBL7433296 0.86 CACNA1B (0.32) MAPTXBP1NPSR1TDP1GHSR
SCHEMBL7433464 0.86 MAP3K5 (0.33) MAPTXBP1NPSR1TDP1CYP1A2
SCHEMBL7446446 0.83 CTSL (0.38) MAPTXBP1NPSR1TDP1GHSR

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