SCHEMBL19971225

SCHEMBL19971225

C=CC(=O)OC(C)CC[N+](C)(C)CCCS(=O)(=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.43
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
TSHR P16473 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
SCHEMBL19971210 0.85 BBOX1 (0.38) BBOX1TSHR
SCHEMBL19971200 0.84 TSHR (0.35) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL19971299 0.84 BBOX1 (0.34) BBOX1TSHR
SCHEMBL19971197 0.82 TSHR (0.31) TSHR
SCHEMBL19971186 0.82 BBOX1 (0.43) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL9453811 0.80 TSHR (0.38) TSHR
SCHEMBL35503 0.78 TSHR (0.47) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL867206 0.78 BBOX1 (0.47) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL19971233 0.77
SCHEMBL16799372 0.77 TSHR (0.50) BBOX1MEN1LMNAPOLBGRK2

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