SCHEMBL9618142

SCHEMBL9618142

C=CC(=O)N(C)CCC1OCCO1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.31

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
SCHEMBL5133110 0.82 ALDH1A1 (0.34)
SCHEMBL6825745 0.81 NAMPT (0.34) BCL2A1
SCHEMBL13836208 0.77 ACHE (0.38)
SCHEMBL3255350 0.76 ALDH1A1 (0.38)
SCHEMBL19892204 0.74 ACHE (0.31)
SCHEMBL10791735 0.74 SIGMAR1 (0.44)
SCHEMBL16776767 0.72 ZDHHC20 (0.42)
SCHEMBL14341773 0.72 ZDHHC20 (0.38)
SCHEMBL5037144 0.71 ALDH1A1 (0.38)
SCHEMBL3630012 0.70 ALDH1A1 (0.34)

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
JP-4081408-A None JP disclosed
JP-H0481408-A HEAT-SENSITIVE HIGH POLYMER COMPOUND CAPABLE OF PHASE TRANSFER IN WATER OR ALCOHOL SOLVENT AND PRODUCTION THEREOF AGENCY OF IND SCIENCE & TECHNOL 1992-03-16 JP disclosed