SCHEMBL10112419

SCHEMBL10112419

C[C@@H]1CCC(=O)C1C(=O)OCN

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.32
TP53 P04637 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
SCHEMBL1262342 0.84 ALDH1A1 (0.41) TLR4TP53
SCHEMBL680912 0.84 ALDH1A1 (0.41) TLR4TP53
SCHEMBL29807013 0.78 ALDH1A1 (0.46) TLR4TP53
SCHEMBL9122696 0.78 ALDH1A1 (0.46) TLR4TP53
SCHEMBL12847556 0.77 TLR4 (0.31) TLR4
SCHEMBL11014967 0.75 MAPK1 (0.50)
SCHEMBL6904973 0.75 ALDH1A1 (0.39) TLR4TP53
SCHEMBL5796691 0.75 ALDH1A1 (0.42) TLR4TP53
SCHEMBL30410792 0.72 CYP2D6 (0.46) TLR4
SCHEMBL190832 0.71 TLR4 (0.34) TLR4

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-2012135749-A2 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH, INC. (US) 2012-10-04 WO disclosed
WO-2012088254-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed