SCHEMBL7029626

SCHEMBL7029626

CC(CN=C=O)CC(C)(C)CCN=C=O.O=C=NC1CCC(N=C=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 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
SCHEMBL18533564 0.87
SCHEMBL27676 0.87
SCHEMBL22830372 0.82
SCHEMBL28198787 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4
SCHEMBL6700647 0.81
SCHEMBL11311478 0.81
SCHEMBL3490118 0.81
SCHEMBL3978532 0.78 TRPA1 (0.34)
SCHEMBL11326919 0.78 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL22585401 0.77

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
EP-0731756-B1 RETROREFLECTIVE SHEETING WITH IMPROVED TOPCOAT AVERY DENNISON CORP (US) 2003-03-05 EP disclosed