SCHEMBL28034023

SCHEMBL28034023

CC=C(CCCS(=O)(=O)O)C(=O)O.CN(C)CCCN

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PAOX Q6QHF9 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 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
SCHEMBL15122054 0.77 KDM4A (0.40) PAOXGRIK1GRIK2
SCHEMBL3909165 0.76 GRIK1 (0.33) PAOXGRIK1
SCHEMBL27894843 0.75 KDM4A (0.47) PAOXGRIK1GRIK2
Glycine SCHEMBL28300087 0.74 APP (0.45) APPLMNASLC6A6CYP2C19BLM
SCHEMBL27777708 0.74 APP (0.50) APPLMNASLC6A6CYP2C19BLM
SCHEMBL2472080 0.73 GRIK1 (0.38) APPLMNASLC6A6CYP2C19BLM
Oxalic Acid SCHEMBL5863172 0.73 TDP1 (0.48) LMNACYP2C19BLMTDP1
SCHEMBL18222460 0.73 GRIK1 (0.33) GRIK1
SCHEMBL7131638 0.71 TDP1 (0.52) APPLMNASLC6A6CYP2C19BLM
SCHEMBL6545465 0.71 GRIK1 (0.39) GRIK1GRIK2

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
CN-101351163-B There is the elastic article of antimicrobial coating ALLEGIANCE CORP. (US) 2015-11-25 CN disclosed