SCHEMBL19971245

SCHEMBL19971245

C=C(C)C(=O)NC(C)CC[N+](C)(C)CCCS(=O)(=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.43
TGFBR1 P36897 1/20 0.35
POLB P06746 2/20 0.34
GRK2 P25098 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
APAF1 O14727 1/20 0.31
DNMT1 P26358 1/20 0.31
PTPN7 P35236 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PPP1CA P62136 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31

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
SCHEMBL19971256 0.86 BBOX1 (0.39) BBOX1TGFBR1
SCHEMBL19971247 0.85 BBOX1 (0.35) BBOX1TGFBR1POLBGRK2L3MBTL1
SCHEMBL19971217 0.85 BBOX1 (0.35) BBOX1TGFBR1
SCHEMBL19971280 0.82 TGFBR1 (0.35) TGFBR1
SCHEMBL19971297 0.82 BBOX1 (0.43) BBOX1POLBGRK2L3MBTL1MEN1
SCHEMBL30648078 0.78 BBOX1 (0.47) BBOX1POLBGRK2L3MBTL1MEN1
SCHEMBL35104 0.78 BBOX1 (0.47) BBOX1POLBGRK2L3MBTL1MEN1
SCHEMBL19971209 0.77 TGFBR1 (0.33) TGFBR1
SCHEMBL16799339 0.77 BBOX1 (0.46) BBOX1POLBGRK2L3MBTL1MEN1
SCHEMBL19971303 0.77 MEN1 (0.32) BBOX1TGFBR1POLBGRK2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530286-B2 Sulfobetaine-based protein aggregation inhibitor for use in preventing aggregation of a protein OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2022-12-20 US disclosed
US-10995160-B2 Protein aggregation inhibitor OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2021-05-04 US disclosed
US-20200332044-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2020-10-22 US disclosed
US-20190161563-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2019-05-30 US disclosed
US-20180118859-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2018-05-03 US disclosed
EP-3296314-A1 PROTEIN AGGREGATION INHIBITOR Osaka Organic Chemical Industry Ltd. (JP) 2018-03-21 EP disclosed