SCHEMBL19971294

SCHEMBL19971294

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 4/20 0.49
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL588467 0.87 BBOX1 (0.47) BBOX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL35587 0.87 BBOX1 (0.47) BBOX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL16799402 0.85 ZDHHC20 (0.47) BBOX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL16799279 0.84 ZDHHC20 (0.50) BBOX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL16799421 0.84 ZDHHC20 (0.50) BBOX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL16799292 0.84 ZDHHC20 (0.50) BBOX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL16799362 0.84 ZDHHC20 (0.50) BBOX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL18151501 0.84 ZDHHC20 (0.50) BBOX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL16798913 0.84 ZDHHC20 (0.50) BBOX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL12002727 0.82 ZDHHC20 (0.44) BBOX1ALDH1A1TSHRMAPK1TDP1

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