SCHEMBL19971311

SCHEMBL19971311

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
BBOX1 O75936 2/20 0.38
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TGM2 P21980 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 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
SCHEMBL19971275 0.94 ZDHHC20 (0.43) ZDHHC20ZDHHC2BBOX1EPHX2ALDH1A1
SCHEMBL19971208 0.90 BBOX1 (0.42) ZDHHC20ZDHHC2BBOX1EPHX2ALDH1A1
SCHEMBL19971257 0.88 ZDHHC20 (0.53) ZDHHC20ZDHHC2BBOX1EPHX2ALDH1A1
SCHEMBL28419788 0.83 ZDHHC20 (0.48) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL19971313 0.82 ZDHHC20 (0.56) ZDHHC20ZDHHC2BBOX1EPHX2ALDH1A1
SCHEMBL19971294 0.81 BBOX1 (0.49) ZDHHC20ZDHHC2BBOX1EPHX2ALDH1A1
SCHEMBL19971309 0.81 ZDHHC20 (0.46) ZDHHC20ZDHHC2BBOX1EPHX2ALDH1A1
SCHEMBL19971176 0.81 BBOX1 (0.38) BBOX1EPHX2
SCHEMBL19971219 0.79 TSHR (0.35) ZDHHC20ZDHHC2BBOX1EPHX2TSHR
Hydrochloric Acid SCHEMBL10416603 0.76 ZDHHC20 (0.59) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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