SCHEMBL19971335

SCHEMBL19971335

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TGM2 P21980 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
BBOX1 O75936 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
SCHEMBL19971322 0.84 ZDHHC20 (0.40) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL19971221 0.83 ZDHHC20 (0.33) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL19971183 0.81 ZDHHC20 (0.34) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL19971328 0.80 TGFBR1 (0.31) BBOX1
SCHEMBL19971262 0.80 TSHR (0.37) TSHR
SCHEMBL19971239 0.79 ZDHHC20 (0.38) ZDHHC20ZDHHC2
SCHEMBL19971304 0.74 TSHR (0.40) TSHRALDH1A1MAPK1
SCHEMBL19971192 0.74 ZDHHC20 (0.41) TGM2ZDHHC20ZDHHC2BBOX1
SCHEMBL19971294 0.74 BBOX1 (0.49) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL19971324 0.73 ZDHHC20 (0.43) TGM2ZDHHC20ZDHHC2BBOX1

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