SCHEMBL19971190

SCHEMBL19971190

C=C(C)C(=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
FAAH O00519 5/20 0.34
BBOX1 O75936 2/20 0.34
ENPP2 Q13822 3/20 0.32
EPHX2 P34913 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
PLA2G2C Q5R387 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
SCHEMBL19971318 0.95 BBOX1 (0.34) TSHRFAAHBBOX1
SCHEMBL19971290 0.91 BBOX1 (0.38) BBOX1
SCHEMBL19971186 0.84 BBOX1 (0.43) TSHRBBOX1MEN1LMNAPOLB
SCHEMBL19971255 0.83 TSHR (0.31) TSHRFAAHBBOX1
SCHEMBL19971200 0.83 TSHR (0.35) TSHRFAAHBBOX1EPHX2CNR1
SCHEMBL19971174 0.80 TSHR (0.56) TSHRBBOX1ENPP2EPHX2POLB
SCHEMBL19971247 0.79 BBOX1 (0.35) BBOX1ENPP2EPHX2MEN1LMNA
SCHEMBL19971230 0.78 TSHR (0.43) TSHRBBOX1ENPP2EPHX2MEN1
SCHEMBL19971299 0.78 BBOX1 (0.34) TSHRBBOX1EPHX2
SCHEMBL19971253 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