SCHEMBL7436456

SCHEMBL7436456

CC(C)(C)OC(=O)CC(N)C(=O)C(C(=O)OCc1ccccc1)n1nnc(C2=CCCCC2)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
CTSL P07711 1/20 0.33
PARP1 P09874 1/20 0.32
SYK P43405 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CACNA1B Q00975 3/20 0.32
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
PTGER4 P35408 1/20 0.30

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
SCHEMBL7438701 0.85 CYP1A2 (0.48) LTA4HCYP1A2CYP2C9CYP2C19SYK
SCHEMBL7433296 0.85 CACNA1B (0.32) LTA4HCTSLPARP1CACNA1BMAPT
SCHEMBL7431022 0.84 CYP1A2 (0.47) LTA4HCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL7437714 0.82 CYP1A2 (0.43) LTA4HCYP1A2CYP2C9CYP2C19SLC7A5
SCHEMBL7443562 0.82 CYP2C9 (0.36) LTA4HCYP1A2CYP2C9CYP2C19SYK
SCHEMBL7434047 0.82 CYP1A2 (0.36) LTA4HCYP1A2CYP2C9CYP2C19SYK
SCHEMBL7439049 0.81 CYP1A2 (0.36) LTA4HCYP1A2CYP2C9CYP2C19SYK
SCHEMBL7440427 0.81 SMN1; SMN2 (0.44) LTA4HCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL7436644 0.80 CYP1A2 (0.35) LTA4HCYP1A2CYP2C9CYP2C19SYK
SCHEMBL7442267 0.80 SMN1; SMN2 (0.46) LTA4HCYP1A2CYP2C9CYP2C19SLC7A5

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