SCHEMBL8377128

SCHEMBL8377128

CCC(C(=O)OC)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
CHRNB2 P17787 5/20 0.36
CHRNA4 P43681 5/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CA14 Q9ULX7 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MIF P14174 1/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32

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
Acetic Acid SCHEMBL28625351 0.94 CA1 (0.38) CA1CA2SMN1; SMN2CHRNB2CHRNA4
Acrylic Acid SCHEMBL28083145 0.87 MEN1 (0.36) CA1CA2CHRNB2CHRNA4CHRNB4
SCHEMBL8814579 0.81 SMN1; SMN2 (0.37) CA1CA2SMN1; SMN2CHRNB2CHRNA4
SCHEMBL27262981 0.81 SMN1; SMN2 (0.37) CA1CA2SMN1; SMN2CHRNB2CHRNA4
SCHEMBL8367999 0.81 ALDH1A1 (0.42) CA1CA2CHRNB2CHRNA4CHRNB4
SCHEMBL8814582 0.81 SMN1; SMN2 (0.37) CA1CA2SMN1; SMN2CHRNB2CHRNA4
SCHEMBL19144476 0.80 CA1 (0.38) CA1CA2SMN1; SMN2CHRNB2CHRNA4
SCHEMBL13646372 0.80 CA1 (0.38) CA1CA2SMN1; SMN2CHRNB2CHRNA4
SCHEMBL10328399 0.79 SMN1; SMN2 (0.36) CA1CA2SMN1; SMN2CHRNB2CHRNA4
SCHEMBL10328425 0.79 SMN1; SMN2 (0.36) CA1CA2SMN1; SMN2CHRNB2CHRNA4

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
CN-118737311-B Compatibility method of dimethylaminobutyric acid and diiodomethyl ester 艾伟拓(江苏)医药科技有限公司 2024-11-22 CN disclosed
CN-118737311-A Compatibility method of dimethylaminobutyric acid and diiodomethyl ester 艾伟拓(江苏)医药科技有限公司 2024-10-01 CN disclosed
EP-0643128-B1 Aqueous fabric softener composition, novel quaternary ammonium salt, and process for the preparation of said salt KAO CORP (JP) 1999-03-10 EP disclosed
US-5580481-A Aqueous fabric softener composition, novel quaternary ammonium salt, and process for the preparation of said salt KAO CORPORATION (JP) 1996-12-03 US disclosed
US-5476597-A Storage stability, elasticity KAO CORPORATION (JP) 1995-12-19 US disclosed
EP-0643128-A1 Aqueous fabric softener composition, novel quaternary ammonium salt, and process for the preparation of said salt Kao Corporation (JP) 1995-03-15 EP disclosed