SCHEMBL28817495

SCHEMBL28817495

NCC(=O)OC1CCC(=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.34
NAAA Q02083 2/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1631310 0.83
SCHEMBL6939177 0.81 GAA (0.40) CYP19A1NAAACYP2C19HTTALDH1A1
SCHEMBL16439879 0.81
SCHEMBL5463377 0.80 NAAA (0.41) CYP19A1NAAACYP2C19HTTALDH1A1
SCHEMBL3126215 0.79
SCHEMBL1020070 0.79 NAAA (0.50) CYP19A1NAAACYP2C19HTTALDH1A1
SCHEMBL25232653 0.77 NAAA (0.50) CYP19A1NAAAALDH1A1
Hydrochloric Acid SCHEMBL7309629 0.77 NAAA (0.48) CYP19A1NAAACYP2C19HTTALDH1A1
SCHEMBL23813855 0.77 CYP2C19 (0.53) CYP19A1NAAACYP2C19HTTALDH1A1
SCHEMBL7506684 0.77 SMYD3 (0.37) CYP19A1NAAACYP2C19HTT

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
CN-104382853-A Processes and Compositions for Liposomal and Efficient Delivery of Gene Silencing Therapeutics MARINA BIOTECH INC 2015-03-04 CN disclosed