SCHEMBL19971183

SCHEMBL19971183

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL19971239 0.93 ZDHHC20 (0.38) ZDHHC20ZDHHC2
SCHEMBL19971221 0.90 ZDHHC20 (0.33) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL19971324 0.86 ZDHHC20 (0.43) ZDHHC20ZDHHC2
SCHEMBL19971331 0.82 TSHR (0.34) TSHR
SCHEMBL19971181 0.82
SCHEMBL19971242 0.81 ZDHHC20 (0.47) ZDHHC20ZDHHC2
SCHEMBL19971335 0.81 TSHR (0.34) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL19971192 0.80 ZDHHC20 (0.41) ZDHHC20ZDHHC2
SCHEMBL19971310 0.77 TSHR (0.36) TSHR
SCHEMBL19971321 0.76 TSHR (0.35) TSHR

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