SCHEMBL19971192

SCHEMBL19971192

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
BBOX1 O75936 1/20 0.31
TGM2 P21980 2/20 0.30

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
SCHEMBL19971242 0.92 ZDHHC20 (0.47) ZDHHC20ZDHHC2EPHX2GAAKMT2A
SCHEMBL19971324 0.92 ZDHHC20 (0.43) ZDHHC20ZDHHC2EPHX2GAAKMT2A
SCHEMBL19971322 0.85 ZDHHC20 (0.40) ZDHHC20ZDHHC2EPHX2GAAKMT2A
SCHEMBL19971221 0.85 ZDHHC20 (0.33) ZDHHC20ZDHHC2
SCHEMBL19971239 0.83 ZDHHC20 (0.38) ZDHHC20ZDHHC2EPHX2KMT2A
SCHEMBL19971282 0.83 BBOX1 (0.31) EPHX2BBOX1
SCHEMBL19971321 0.81 TSHR (0.35)
SCHEMBL19971183 0.80 ZDHHC20 (0.34) ZDHHC20ZDHHC2
SCHEMBL19971309 0.78 ZDHHC20 (0.46) ZDHHC20ZDHHC2EPHX2GAAKMT2A
SCHEMBL19971329 0.78 TSHR (0.43) BBOX1

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