SCHEMBL21729381

SCHEMBL21729381

CC(=O)c1cncc(C(=O)C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
XDH P47989 1/20 0.43
KDM4E B2RXH2 5/20 0.41
DBH P09172 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HCAR2 Q8TDS4 4/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA5A P35218 1/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL13197237 0.92 KDM4E (0.47) XDHKDM4EDBHGAARECQL
SCHEMBL3500223 0.85 MKNK1 (0.55) MKNK1MKNK2XDHKDM4ECYP11B1
SCHEMBL20630226 0.81 KDM4E (0.48) KDM4EDBHGAARECQLCA5A
SCHEMBL9965888 0.81 KDM4E (0.48) KDM4EDBHGAARECQLCA5A
SCHEMBL12599363 0.80 HCAR2 (0.62) KDM4EDBHGAARECQLHCAR2
SCHEMBL24198767 0.78 HCAR2 (0.60) MKNK1MKNK2KDM4EDBHGAA
SCHEMBL9927084 0.78 HCAR2 (0.60) KDM4EDBHGAARECQLHCAR2
SCHEMBL10136683 0.78 POLB (0.60) KDM4EGAAHCAR2ALDH1A1MEN1
SCHEMBL12553239 0.78 KDM4E (0.40) KDM4EDBHGAARECQLHCAR2
SCHEMBL31064103 0.77 HCAR2 (0.63) MKNK1MKNK2XDHKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020035593-A1 COPOLYMER BLENDS BIOME BIOPLASTICS LIMITED (GB) 2020-02-20 WO disclosed