SCHEMBL19971282

SCHEMBL19971282

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL19971212 0.92 EPHX2 (0.35) BBOX1EPHX2
SCHEMBL19971330 0.92 EPHX2 (0.33) BBOX1EPHX2
SCHEMBL19971319 0.85 BBOX1 (0.32) BBOX1
SCHEMBL19971289 0.85
SCHEMBL19971194 0.83 MEN1 (0.33) EPHX2
SCHEMBL19971192 0.83 ZDHHC20 (0.41) BBOX1EPHX2
SCHEMBL19971209 0.81 TGFBR1 (0.33)
SCHEMBL19971181 0.80
SCHEMBL19971333 0.78 BBOX1 (0.41) BBOX1EPHX2
SCHEMBL19971276 0.78 TSHR (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995160-B2 Protein aggregation inhibitor OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2021-05-04 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