SCHEMBL7255129

SCHEMBL7255129

C=C(C)COCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL7255123 0.87 ALDH1A1 (0.40) ALDH1A1
SCHEMBL23752310 0.85 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7258815 0.84 MEN1 (0.33) ALDH1A1
SCHEMBL7256071 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5198843 0.83 UPP1 (0.35) ALDH1A1
SCHEMBL7260757 0.83 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7258543 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7759871 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7759873 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7255879 0.73 ALDH1A1 (0.32) ALDH1A1

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
WO-2003057677-A1 ANTI-RETROVIRAL 5,6-DISUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES SYDDANSK UNIVERSITET (DK) 2003-07-17 WO disclosed