SCHEMBL28388299

SCHEMBL28388299

CC(C)(C)c1cc(C(N)=O)ccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LCK P06239 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ BRPF1 P55201 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ PARP4 Q9UKK3 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL28252975 0.87 PARP1 (0.40) PARP1L3MBTL1LCKKDM4EBRD4
SCHEMBL14213204 0.84 PARP1 (0.48) PARP1L3MBTL1LCKKDM4EBRD4
SCHEMBL28360036 0.82 PARP1 (0.37) PARP1L3MBTL1LCKKDM4EBRD4
SCHEMBL7753630 0.81 NR1H4 (0.43) L3MBTL1KDM4EALDH1A1HSD17B10NR1H4
SCHEMBL2425056 0.81 CES2 (0.47) PARP1LCKTSHR
SCHEMBL7841921 0.81 ALDH1A1 (0.53) PARP1L3MBTL1LCKKDM4EALDH1A1
SCHEMBL5373229 0.81 HSP90AA1 (0.58) LCKKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11350133 0.81 PARP1 (0.46) PARP1LCKKDM4EBRD4ALDH1A1
SCHEMBL21655330 0.80 L3MBTL1 (0.34) PARP1L3MBTL1LCKKDM4EBRD4
SCHEMBL11346550 0.79 PARP1 (0.44) PARP1LCKKDM4EBRD4ALDH1A1

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
CN-109195795-B Multilayer film and package formed therefrom 陶氏环球技术有限责任公司 2022-02-18 — — CN disclosed
CN-107108963-B Polyethylene composition with improved optical properties 陶氏环球技术有限责任公司 2020-04-21 — — CN disclosed
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