SCHEMBL19971309

SCHEMBL19971309

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
BBOX1 O75936 3/20 0.41
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TGM2 P21980 3/20 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
SCHEMBL19971313 0.90 ZDHHC20 (0.56) ZDHHC20ZDHHC2BBOX1EPHX2GAA
SCHEMBL19971257 0.90 ZDHHC20 (0.53) ZDHHC20ZDHHC2BBOX1EPHX2SMN1; SMN2
SCHEMBL8014899 0.87 ZDHHC20 (0.51) ZDHHC20ZDHHC2EPHX2GAAKMT2A
SCHEMBL19971208 0.87 BBOX1 (0.42) ZDHHC20ZDHHC2BBOX1EPHX2SMN1; SMN2
SCHEMBL35587 0.86 BBOX1 (0.47) ZDHHC20ZDHHC2BBOX1EPHX2GAA
SCHEMBL2803754 0.83 ZDHHC20 (0.59) ZDHHC20ZDHHC2GAAKMT2AATM
SCHEMBL8015650 0.83 ZDHHC20 (0.50) ZDHHC20ZDHHC2EPHX2SMN1; SMN2RXFP1
Hydrochloric Acid SCHEMBL475933 0.82 ZDHHC20 (0.58) ZDHHC20ZDHHC2GAAKMT2AATM
Bromide SCHEMBL1667281 0.82 ZDHHC20 (0.58) ZDHHC20ZDHHC2GAAKMT2AATM
SCHEMBL12002727 0.82 ZDHHC20 (0.44) ZDHHC20ZDHHC2BBOX1EPHX2KMT2A

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