SCHEMBL9225353

SCHEMBL9225353

CC(C)OC(=O)CC(C(=O)ON)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
PRKCA P17252 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
SCHEMBL4020730 0.87 RECQL (0.41) RECQLLMNATSHRMMP1MMP2
SCHEMBL8526917 0.85 RECQL (0.40) RECQLLMNATSHRMMP1MMP2
SCHEMBL4206427 0.83 RECQL (0.39) RECQL
SCHEMBL8414912 0.81 MMP1 (0.40) RECQLLMNATSHRMMP1MMP2
SCHEMBL27735839 0.81 RECQL (0.38) RECQL
SCHEMBL27851448 0.81 RECQL (0.38) RECQL
SCHEMBL1257844 0.76 RECQL (0.39) RECQLMMP1MMP2MMP3MMP9
SCHEMBL4206423 0.75 GABRR1 (0.33) RECQLLMNATSHR
SCHEMBL27482563 0.73 GABRR1 (0.32) RECQLLMNATSHR
SCHEMBL9054864 0.72 RECQL (0.36) RECQL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5435933-A Composition of synthetic detergents COLGATE-PALMOLIVE COMPANY (US) 1995-07-25 US disclosed