SCHEMBL20362129

SCHEMBL20362129

CC(C)(C)OC(=O)NCCCCN.O=C(O)COc1ccc(CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.52
CA2 P00918 7/20 0.52
CA12 O43570 5/20 0.52
CA9 Q16790 5/20 0.52
SUCNR1 Q9BXA5 8/20 0.48
TDP1 Q9NUW8 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL917117 0.85 CA1 (0.54) CA1CA2CA12CA9SUCNR1
SCHEMBL3174253 0.83 CA1 (0.53) CA1CA2CA12CA9SUCNR1
SCHEMBL30439584 0.83 CA1 (0.67) CA1CA2CA12CA9SUCNR1
SCHEMBL17987669 0.82 CA12 (0.68) CA1CA2CA12CA9SUCNR1
SCHEMBL9965358 0.82 CA1 (0.67) CA1CA2CA12CA9SUCNR1
SCHEMBL7810195 0.82 CA12 (0.67) CA1CA2CA12CA9SUCNR1
SCHEMBL4427701 0.81 PTPN1 (0.52) CA1CA2CA12CA9SUCNR1
SCHEMBL3608658 0.78 EPHX2 (0.62) CA1CA2CA12CA9TDP1
SCHEMBL21068676 0.78 CA12 (0.66) CA1CA2CA12CA9SUCNR1
SCHEMBL17974334 0.78 CA12 (0.66) CA1CA2CA12CA9SUCNR1

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-2018129203-A2 METHOD FOR TEMPORAL AND TISSUE-SPECIFIC DRUG DELIVERY AND INDUCED NUCLEIC ACID RECOMBINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-12 WO disclosed