SCHEMBL19971298

SCHEMBL19971298

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
BBOX1 O75936 2/20 0.37
PLA2G2A P14555 2/20 0.35
PLA2G4A P47712 1/20 0.35
ENPP2 Q13822 3/20 0.34
EPHX1 P07099 2/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 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
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19971337 0.95 EPHX2 (0.41) EPHX2BBOX1PLA2G2APLA2G4AENPP2
SCHEMBL19971333 0.90 BBOX1 (0.41) EPHX2BBOX1
SCHEMBL19971214 0.88 BBOX1 (0.38) EPHX2BBOX1ENPP2MEN1LMNA
SCHEMBL35104 0.85 BBOX1 (0.47) EPHX2BBOX1MEN1LMNAPOLB
SCHEMBL15253793 0.82 EPHX1 (0.46) PLA2G2APLA2G4AEPHX1
SCHEMBL19971176 0.82 BBOX1 (0.38) EPHX2BBOX1
SCHEMBL21545054 0.82 BBOX1 (0.45) EPHX2BBOX1MEN1LMNAPOLB
SCHEMBL19971212 0.81 EPHX2 (0.35) EPHX2BBOX1MEN1LMNAPOLB
SCHEMBL19971313 0.81 ZDHHC20 (0.56) EPHX2BBOX1EPHX1MEN1LMNA
Lithium Ion SCHEMBL23607545 0.81 EPHX2 (0.40) EPHX2BBOX1PLA2G2APLA2G4ALMNA

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