SCHEMBL19971212

SCHEMBL19971212

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GRK2 P25098 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
BBOX1 O75936 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
SCHEMBL19971330 0.95 EPHX2 (0.33) EPHX2BBOX1
SCHEMBL19971282 0.92 BBOX1 (0.31) EPHX2BBOX1
SCHEMBL19971194 0.89 MEN1 (0.33) EPHX2MEN1LMNAPOLBGRK2
SCHEMBL19971303 0.85 MEN1 (0.32) MEN1LMNAPOLBGRK2KMT2A
SCHEMBL19971319 0.84 BBOX1 (0.32) BBOX1
SCHEMBL19971242 0.83 ZDHHC20 (0.47) EPHX2MEN1LMNAPOLBGRK2
SCHEMBL19971181 0.81
SCHEMBL19971298 0.81 EPHX2 (0.44) EPHX2MEN1LMNAPOLBGRK2
SCHEMBL19971289 0.79
SCHEMBL19971270 0.79 TSHR (0.47) MEN1LMNAPOLBGRK2KMT2A

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