SCHEMBL19971308

SCHEMBL19971308

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.49
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 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
SCHEMBL30648078 0.87 BBOX1 (0.47) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL35104 0.87 BBOX1 (0.47) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL16799339 0.85 BBOX1 (0.46) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL16799497 0.84 BBOX1 (0.45) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL21545054 0.84 BBOX1 (0.45) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL18151520 0.84 BBOX1 (0.45) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL16799294 0.84 BBOX1 (0.45) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL18151769 0.84 BBOX1 (0.45) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL16799259 0.84 BBOX1 (0.45) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL16799236 0.84 BBOX1 (0.45) BBOX1MEN1LMNAPOLBGRK2

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