SCHEMBL6007753

SCHEMBL6007753

CCS(=O)(=O)C(N)(CN)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 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
Hydrochloric Acid SCHEMBL8555892 0.85 NOS2 (0.37) GGT1MEN1ALDH1A1CYP1A2THRB
Hydrochloric Acid SCHEMBL8555890 0.85 NOS2 (0.37) GGT1MEN1ALDH1A1CYP1A2THRB
SCHEMBL6007078 0.82 CA2 (0.37) ALDH1A1
SCHEMBL8601347 0.76 ARG1 (0.33) GGT1KDM4E
SCHEMBL7372440 0.74 ARG1 (0.33) GGT1KDM4E
SCHEMBL5489842 0.70 ALDH1A1 (0.39) GGT1MEN1ALDH1A1CYP1A2THRB
SCHEMBL12503924 0.70 MEN1 (0.39) GGT1MEN1ALDH1A1CYP1A2THRB
SCHEMBL27561926 0.67 ALDH1A1 (0.36) GGT1MEN1ALDH1A1CYP1A2THRB
SCHEMBL7651608 0.66 SMN1; SMN2 (0.44) KMT2A
SCHEMBL10926601 0.65 TSHR (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920345-A4 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS VYTERIS INC (US) 2006-05-10 EP disclosed
EP-0920345-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS Becton Dickinson and Company (US) 1999-06-09 EP disclosed
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed
WO-1997048443-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed