SCHEMBL13286154

SCHEMBL13286154

C=C1C=CCC2C(=O)N(O)C(=O)C12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL11528994 0.79 ACHE (0.33)
SCHEMBL11798570 0.75 SMN1; SMN2 (0.32)
SCHEMBL11584760 0.75 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL17970089 0.74 ALDH1A1 (0.47) ALDH1A1TDP1
SCHEMBL41953 0.74 ALDH1A1 (0.47) ALDH1A1TDP1
SCHEMBL16607543 0.74 ALDH1A1 (0.47) ALDH1A1TDP1
SCHEMBL11594146 0.73 GAA (0.33)
SCHEMBL11583580 0.72 ATM (0.35) ALDH1A1TDP1
SCHEMBL11527945 0.72 ALDH1A1 (0.42) ALDH1A1
SCHEMBL11526538 0.72 CA9 (0.44) ALDH1A1TDP1

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
WO-2010084157-A2 MULTIFUNCTIONAL STEALTH NANOPARTICLES FOR BIOMEDICAL USE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-07-29 WO disclosed
EP-2210616-A1 Multifunctional stealth nanoparticles for biomedical use Centre National de la Recherche Scientifique (FR) 2010-07-28 EP disclosed