SCHEMBL19971296

SCHEMBL19971296

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
TSHR P16473 1/20 0.35
BBOX1 O75936 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
CNR1 P21554 4/20 0.31
ACACB O00763 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
SLC22A1 O15245 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
SCHEMBL19971219 0.95 TSHR (0.35) EPHX2ZDHHC20ZDHHC2TSHRBBOX1
SCHEMBL19971236 0.91 BBOX1 (0.39) TSHRBBOX1ACACB
SCHEMBL19971297 0.85 BBOX1 (0.43) TSHRBBOX1MEN1KMT2ALMNA
SCHEMBL19971179 0.84 TSHR (0.33) EPHX2ZDHHC20ZDHHC2TSHRBBOX1
SCHEMBL19971247 0.82 BBOX1 (0.35) EPHX2BBOX1MEN1KMT2ALMNA
SCHEMBL19971313 0.81 ZDHHC20 (0.56) EPHX2ZDHHC20ZDHHC2TSHRBBOX1
SCHEMBL19971275 0.79 ZDHHC20 (0.43) EPHX2ZDHHC20ZDHHC2TSHRBBOX1
SCHEMBL19971200 0.79 TSHR (0.35) EPHX2TSHRBBOX1MEN1KMT2A
SCHEMBL19971331 0.79 TSHR (0.34) TSHRACACB
SCHEMBL19971321 0.78 TSHR (0.35) TSHRACACB

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