SCHEMBL8105490

SCHEMBL8105490

NCCC(CCCO)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL1015907 0.88 LMNA (0.35) APPLMNASLC6A6CYP2C19BLM
SCHEMBL4686877 0.88 TP53 (0.30)
SCHEMBL28592838 0.88 BLM (0.41) APPLMNASLC6A6CYP2C19BLM
SCHEMBL28586829 0.86 APP (0.41) APPLMNASLC6A6CYP2C19BLM
SCHEMBL8734767 0.86 APP (0.41) APPLMNASLC6A6CYP2C19BLM
SCHEMBL8733536 0.86 APP (0.41) APPLMNASLC6A6CYP2C19BLM
SCHEMBL28914373 0.85 LMNA (0.39) APPLMNASLC6A6CYP2C19BLM
SCHEMBL3181159 0.84 APP (0.39) APPLMNASLC6A6CYP2C19BLM
SCHEMBL28317422 0.83 TP53 (0.32)
SCHEMBL9403043 0.81 TP53 (0.31)

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-6048390-A DYE HAVING AT LEAST ONE CARBOXYL GROUP IN THE FORM OF A FREE ACID; A SECONDARY OR TERTIARY AMINE; ALKALI METAL HYDROXIDE FUJI XEROX CO., LTD. (JP) 2000-04-11 US disclosed