SCHEMBL29385669

SCHEMBL29385669

CCOC(=O)C(=O)C1CC(=O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 2/20 0.35
UCHL1 P09936 1/20 0.34
SCN5A Q14524 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
SCHEMBL8438525 0.87 MEN1 (0.43) MEN1KMT2ALMNANPSR1ADORA1
SCHEMBL31562050 0.87 MEN1 (0.43) MEN1KMT2ALMNANPSR1ADORA1
SCHEMBL8438521 0.87 MEN1 (0.43) MEN1KMT2ALMNANPSR1ADORA1
SCHEMBL20002160 0.80 KMT2A (0.56) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL17358752 0.79 HSD17B10 (0.41) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL4869226 0.79 HSD17B10 (0.47) LMNANPSR1ADORA1SMN1; SMN2NPC1
SCHEMBL15606327 0.79 HSD17B10 (0.47) LMNANPSR1ADORA1SMN1; SMN2NPC1
SCHEMBL8235326 0.79 HSD17B10 (0.41) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL10215478 0.79 NPC1 (0.41) LMNANPSR1SMN1; SMN2NPC1HSD17B10
SCHEMBL4547486 0.79 HSD17B10 (0.47) LMNANPSR1ADORA1SMN1; SMN2NPC1

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
CN-114057739-A Diazepinone derivatives and their use in the treatment of hepatitis b infections 诺维拉治疗公司 2022-02-18 CN disclosed