SCHEMBL19971176

SCHEMBL19971176

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

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.38
EPHX2 P34913 1/20 0.34
TGFBR1 P36897 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
SCHEMBL19971214 0.94 BBOX1 (0.38) BBOX1EPHX2TGFBR1
SCHEMBL19971261 0.90 BBOX1 (0.42) BBOX1EPHX2TGFBR1
SCHEMBL19971337 0.88 EPHX2 (0.41) BBOX1EPHX2
SCHEMBL19971298 0.82 EPHX2 (0.44) BBOX1EPHX2
SCHEMBL19971308 0.81 BBOX1 (0.49) BBOX1EPHX2
SCHEMBL19971311 0.81 ZDHHC20 (0.40) BBOX1EPHX2
SCHEMBL19971333 0.81 BBOX1 (0.41) BBOX1EPHX2TGFBR1
SCHEMBL19971217 0.79 BBOX1 (0.35) BBOX1EPHX2TGFBR1
Hydrochloric Acid SCHEMBL21801687 0.76 SLC22A1 (0.31) TGFBR1
SCHEMBL19971275 0.75 ZDHHC20 (0.43) BBOX1EPHX2

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