SCHEMBL19971208

SCHEMBL19971208

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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 0.90 ZDHHC20 (0.43) BBOX1ZDHHC20ZDHHC2EPHX2ALDH1A1
SCHEMBL19971311 0.90 ZDHHC20 (0.40) BBOX1ZDHHC20ZDHHC2EPHX2ALDH1A1
SCHEMBL19971309 0.87 ZDHHC20 (0.46) BBOX1ZDHHC20ZDHHC2EPHX2ALDH1A1
SCHEMBL19971294 0.82 BBOX1 (0.49) BBOX1ZDHHC20ZDHHC2EPHX2ALDH1A1
SCHEMBL19971257 0.81 ZDHHC20 (0.53) BBOX1ZDHHC20ZDHHC2EPHX2ALDH1A1
SCHEMBL19971313 0.81 ZDHHC20 (0.56) BBOX1ZDHHC20ZDHHC2EPHX2ALDH1A1
SCHEMBL19971261 0.80 BBOX1 (0.42) BBOX1EPHX2SMN1; SMN2RXFP1
SCHEMBL19971236 0.79 BBOX1 (0.39) BBOX1TSHRSMN1; SMN2RXFP1
SCHEMBL28417952 0.78 TSHR (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL21801685 0.77 ZDHHC20 (0.44) 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