SCHEMBL19971313

SCHEMBL19971313

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.56
ZDHHC2 Q9UIJ5 1/20 0.56
EPHX2 P34913 2/20 0.47
BBOX1 O75936 2/20 0.37
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
TGM2 P21980 1/20 0.34
EPHX1 P07099 6/20 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
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC22A1 O15245 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL19971257 0.95 ZDHHC20 (0.53) ZDHHC20ZDHHC2EPHX2BBOX1KMT2A
SCHEMBL19971309 0.90 ZDHHC20 (0.46) ZDHHC20ZDHHC2EPHX2BBOX1KMT2A
SCHEMBL19971275 0.88 ZDHHC20 (0.43) ZDHHC20ZDHHC2EPHX2BBOX1KMT2A
Bromide SCHEMBL9771616 0.85 ZDHHC20 (0.71) ZDHHC20ZDHHC2KMT2AATMTGM2
SCHEMBL35587 0.85 BBOX1 (0.47) ZDHHC20ZDHHC2EPHX2BBOX1KMT2A
SCHEMBL19971311 0.82 ZDHHC20 (0.40) ZDHHC20ZDHHC2EPHX2BBOX1TGM2
SCHEMBL19971242 0.81 ZDHHC20 (0.47) ZDHHC20ZDHHC2EPHX2BBOX1KMT2A
SCHEMBL19971298 0.81 EPHX2 (0.44) EPHX2BBOX1KMT2AEPHX1MEN1
SCHEMBL28417958 0.81 ZDHHC20 (0.68) ZDHHC20ZDHHC2KMT2AATMTGM2
SCHEMBL16799402 0.81 ZDHHC20 (0.47) ZDHHC20ZDHHC2EPHX2BBOX1KMT2A

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