SCHEMBL6806508

SCHEMBL6806508

CC(C(N)=O)=C(CCCS(=O)(=O)O)CCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
LMNA P02545 1/20 0.34
SLC6A6 P31641 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PTGS1 P23219 1/20 0.30
PDE4A P27815 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
SCHEMBL1616653 0.88 PAOX (0.35) APP
SCHEMBL10410505 0.82 APP (0.40) APPLMNASLC6A6CYP2C19BLM
SCHEMBL3451347 0.82 APP (0.38) APPLMNASLC6A6CYP2C19BLM
SCHEMBL9800823 0.78 APP (0.43) APPLMNASLC6A6CYP2C19BLM
SCHEMBL177559 0.75 APP (0.55) APPLMNASLC6A6CYP2C19BLM
SCHEMBL2469796 0.74 CES1 (0.46) CYP2C19PDE4A
SCHEMBL10410512 0.73 LMNA (0.36) APPLMNASLC6A6CYP2C19BLM
SCHEMBL177845 0.73 APP (0.52) APPLMNASLC6A6CYP2C19BLM
SCHEMBL177764 0.73 APP (0.52) APPLMNASLC6A6CYP2C19BLM
SCHEMBL12927394 0.73 APP (0.46) APPLMNASLC6A6CYP2C19BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437999-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GmbH (DE) 2004-07-21 EP disclosed
WO-2003035013-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GMBH (DE) 2003-05-01 WO disclosed