SCHEMBL19971219

SCHEMBL19971219

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
BBOX1 O75936 2/20 0.35
EPHX2 P34913 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ACACB O00763 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL19971296 0.95 EPHX2 (0.36) TSHRBBOX1EPHX2ZDHHC20ZDHHC2
SCHEMBL19971236 0.91 BBOX1 (0.39) TSHRBBOX1ACACB
SCHEMBL19971297 0.85 BBOX1 (0.43) TSHRBBOX1
SCHEMBL19971217 0.82 BBOX1 (0.35) BBOX1EPHX2
SCHEMBL19971331 0.81 TSHR (0.34) TSHRACACB
SCHEMBL19971257 0.81 ZDHHC20 (0.53) TSHRBBOX1EPHX2ZDHHC20ZDHHC2
SCHEMBL19971179 0.80 TSHR (0.33) TSHRBBOX1EPHX2ZDHHC20ZDHHC2
SCHEMBL19971262 0.80 TSHR (0.37) TSHR
SCHEMBL19971311 0.79 ZDHHC20 (0.40) TSHRBBOX1EPHX2ZDHHC20ZDHHC2
SCHEMBL19971299 0.79 BBOX1 (0.34) TSHRBBOX1EPHX2

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