SCHEMBL10874151

SCHEMBL10874151

COc1ccc(CN2CC(NC(=O)OCc3ccccc3)C2=O)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ACHE P22303 2/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
BTK Q06187 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL12219129 0.86 CA1 (0.45) CA1CA2ACHEALDH1A1KDM4E
SCHEMBL12219110 0.85 CA1 (0.45) CA1CA2ACHEALDH1A1KDM4E
SCHEMBL10542216 0.81 KCNQ2 (0.49) CA1CA2ACHEALDH1A1KDM4E
SCHEMBL10546558 0.81 KCNQ2 (0.49) CA1CA2ACHEALDH1A1KDM4E
SCHEMBL10542221 0.81 KCNQ2 (0.49) CA1CA2ACHEALDH1A1KDM4E
SCHEMBL8314882 0.80 ALDH1A1 (0.48) CA1CA2ACHEALDH1A1KDM4E
SCHEMBL10543641 0.80 ALDH1A1 (0.48) CA1CA2ACHEALDH1A1KDM4E
SCHEMBL10545083 0.80 ALDH1A1 (0.48) CA1CA2ACHEALDH1A1KDM4E
SCHEMBL10543646 0.80 ALDH1A1 (0.48) CA1CA2ACHEALDH1A1KDM4E
SCHEMBL8312370 0.80 ALDH1A1 (0.48) CA1CA2ACHEALDH1A1KDM4E

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-0180398-A1 Synthesis of beta-lactam THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1986-05-07 EP disclosed