SCHEMBL19971333

SCHEMBL19971333

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
EPHX2 P34913 1/20 0.36
TGFBR1 P36897 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
SCHEMBL19971298 0.90 EPHX2 (0.44) BBOX1EPHX2
SCHEMBL19971337 0.90 EPHX2 (0.41) BBOX1SMN1; SMN2RXFP1EPHX2
SCHEMBL19971261 0.87 BBOX1 (0.42) BBOX1SMN1; SMN2RXFP1EPHX2TGFBR1
SCHEMBL9820844 0.87 TGFBR1 (0.33) TGFBR1
Water SCHEMBL9938163 0.86 EPHX2 (0.36) EPHX2TGFBR1
SCHEMBL35104 0.86 BBOX1 (0.47) BBOX1EPHX2
SCHEMBL1563365 0.83 CHRM2 (0.36) TGFBR1
Water SCHEMBL18815183 0.83 EPHX2 (0.33) EPHX2TGFBR1
SCHEMBL21545054 0.83 BBOX1 (0.45) BBOX1EPHX2
SCHEMBL19220240 0.83 EPHX2 (0.39) SMN1; SMN2RXFP1EPHX2TGFBR1

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