Sugi Predict

Sugi Predict / Compounds / SCHEMBL13523716

SCHEMBL13523716

SCHEMBL13523716

CCN(CCN(CCN(CC(=O)O)CC(=O)Nc1ccc(Cc2ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc2)cc1)CC(=O)O)CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 14/20 0.59
▸ CA2 P00918 14/20 0.59
▸ CA4 P22748 7/20 0.59
▸ CA12 O43570 3/20 0.59
▸ CA9 Q16790 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ KMT2A Q03164 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL13523700 0.93 CA1 (0.66) CA1CA2CA4CA12CA9
SCHEMBL15499792 0.85 CA1 (0.75) CA1CA2CA4CA12CA9
SCHEMBL14306564 0.84 CA1 (0.56) CA1CA2CA4CA12CA9
SCHEMBL6047697 0.83 CA1 (0.64) CA1CA2CA4CA12CA9
SCHEMBL7768642 0.81 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL1197762 0.81 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL8772754 0.81 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL4265384 0.81 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL4272357 0.79 CA1 (0.67) CA1CA2CA4CA12CA9
SCHEMBL4268752 0.79 CA1 (0.67) CA1CA2CA4CA12CA9

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
US-7641799-B2 Method of separating isotopes FRAMATOME ANP (FR) 2010-01-05 — — US disclosed
US-20080073272-A1 Method of separating isotopes LEMAIRE MARC 2008-03-27 — — US disclosed