SCHEMBL19971200

SCHEMBL19971200

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
BBOX1 O75936 2/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.33
FAAH O00519 5/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GRK2 P25098 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL19971299 0.95 BBOX1 (0.34) TSHRBBOX1HPGDEPHX2
SCHEMBL19971210 0.91 BBOX1 (0.38) TSHRBBOX1
SCHEMBL19971225 0.84 BBOX1 (0.43) TSHRBBOX1MEN1LMNAPOLB
SCHEMBL19971243 0.83 TSHR (0.33) TSHRBBOX1HPGD
SCHEMBL19971190 0.83 TSHR (0.35) TSHRBBOX1EPHX2FAAHCNR1
SCHEMBL19971237 0.80 TSHR (0.55) TSHRBBOX1HPGDEPHX2THRB
SCHEMBL19971296 0.79 EPHX2 (0.36) TSHRBBOX1EPHX2FAAHCNR1
SCHEMBL19971232 0.78 TSHR (0.45) TSHRBBOX1HPGDEPHX2THRB
SCHEMBL19971318 0.78 BBOX1 (0.34) TSHRBBOX1FAAH
SCHEMBL19971292 0.78

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