SCHEMBL9800823

SCHEMBL9800823

NC(=O)C(O)=C(CCCS(=O)(=O)O)CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
APEX1 P27695 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
SCHEMBL6806508 0.78 APP (0.41) APPLMNASLC6A6CYP2C19BLM
SCHEMBL177559 0.77 APP (0.55) APPLMNASLC6A6CYP2C19BLM
SCHEMBL177845 0.75 APP (0.52) APPLMNASLC6A6CYP2C19BLM
SCHEMBL177764 0.75 APP (0.52) APPLMNASLC6A6CYP2C19BLM
SCHEMBL1029720 0.72 APP (0.44) APPLMNASLC6A6CYP2C19BLM
SCHEMBL513001 0.72 LMNA (0.53) APPLMNABLMAPEX1
SCHEMBL10410505 0.72 APP (0.40) APPLMNASLC6A6CYP2C19BLM
SCHEMBL7534292 0.71 APP (0.43) APPLMNASLC6A6CYP2C19BLM
SCHEMBL3451347 0.71 APP (0.38) APPLMNASLC6A6CYP2C19BLM
SCHEMBL5022360 0.70 LMNA (0.50) APPLMNABLMAPEX1

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-5035806-A Acrylic copolymer containing amide, sulfonate and carboxylate functional groups, antideposit agents for industrial water systems NALCO CHEMICAL COMPANY (US) 1991-07-30 US disclosed