SCHEMBL18332009

SCHEMBL18332009

C=CCON[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.45
▸ CA2 P00918 4/20 0.45
▸ TDP1 Q9NUW8 8/20 0.44
▸ MAPT P10636 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ PAX8 Q06710 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL16847608 0.88 MAPT (0.49) CA1CA2TDP1MAPTKDM4E
SCHEMBL19017845 0.88 MAPT (0.49) CA1CA2TDP1MAPTKDM4E
SCHEMBL12285414 0.83 PSMB8 (0.47) CA1CA2TDP1MAPTPAX8
SCHEMBL24997166 0.83 MAPT (0.43) CA1CA2TDP1MAPTKDM4E
SCHEMBL20067639 0.82 CA1 (0.64) CA1CA2TDP1MAPTKDM4E
SCHEMBL22239381 0.80 TDP1 (0.46) CA1CA2TDP1MAPTKDM4E
SCHEMBL20067638 0.79 SPHK1 (0.49) CA1CA2TDP1MAPTKDM4E
SCHEMBL17650866 0.79 CA1 (0.50) CA1CA2TDP1MAPTKDM4E
SCHEMBL16424839 0.79 CA1 (0.52) CA1CA2TDP1MAPTKDM4E
SCHEMBL27410343 0.77 CA1 (0.53) CA1CA2TDP1MAPTKDM4E

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-2016205176-A1 ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC. (US) 2016-12-22 — — WO disclosed
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