SCHEMBL19971303

SCHEMBL19971303

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
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
TGFBR1 P36897 1/20 0.31
BBOX1 O75936 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
SCHEMBL19971327 0.93 TGFBR1 (0.33) TGFBR1
SCHEMBL19971209 0.89 TGFBR1 (0.33) TGFBR1
SCHEMBL19971212 0.85 EPHX2 (0.35) MEN1LMNAPOLBGRK2KMT2A
SCHEMBL19971247 0.84 BBOX1 (0.35) MEN1LMNAPOLBGRK2KMT2A
SCHEMBL19971179 0.84 TSHR (0.33) MEN1LMNAPOLBGRK2KMT2A
SCHEMBL19971194 0.83 MEN1 (0.33) MEN1LMNAPOLBGRK2KMT2A
SCHEMBL19971280 0.82 TGFBR1 (0.35) TGFBR1
SCHEMBL19971330 0.80 EPHX2 (0.33) BBOX1
SCHEMBL19971217 0.80 BBOX1 (0.35) TGFBR1BBOX1
SCHEMBL19971255 0.79 TSHR (0.31) 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 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