SCHEMBL28078092

SCHEMBL28078092

CC(C)(C)OC(=O)N1CCNCC1N1CCNC(=O)C1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
PARP1 P09874 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 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
SCHEMBL4344258 0.84 TSHR (0.57) TSHRTDP1POLBALDH1A1KDM4E
SCHEMBL19834189 0.74 PARP1 (0.52) PARP1SMN1; SMN2
SCHEMBL1343753 0.74 L3MBTL1 (0.44) TSHRPARP1POLBALDH1A1KDM4E
SCHEMBL27332955 0.72 L3MBTL1 (0.61) TDP1KDM4EL3MBTL1KMT2A
SCHEMBL14518853 0.72 DPP4 (0.47) TSHRPARP1ALDH1A1KDM4EL3MBTL1
SCHEMBL27334084 0.72 TSHR (0.40) TSHRPARP1ALDH1A1KDM4EL3MBTL1
SCHEMBL14518854 0.72 L3MBTL1 (0.43) TSHRPARP1POLBALDH1A1KDM4E
SCHEMBL14518855 0.71 MMP3 (0.40) TSHRPARP1ALDH1A1KDM4EL3MBTL1
SCHEMBL30317225 0.71 TSHR (0.40) TSHRPARP1ALDH1A1KDM4EL3MBTL1
SCHEMBL1343383 0.71 KMT2A (0.61) POLBALDH1A1L3MBTL1KMT2A

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-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN disclosed