SCHEMBL13076835

SCHEMBL13076835

CC1=C(C)c2occ(C(=O)c3ccc4c(c3)OCCO4)c2C(=O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ NPSR1 Q6W5P4 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ HKDC1 Q2TB90 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ CDC25A P30304 1/20 0.45
▸ CDC25B P30305 1/20 0.45
▸ CDC25C P30307 1/20 0.45
▸ MPI P34949 1/20 0.45
▸ PDF Q9HBH1 5/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPK1 P28482 2/20 0.45

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
SCHEMBL13076501 0.93 MAPT (0.50) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL13076829 0.90 PDF (0.53) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL13076496 0.87 MAPT (0.47) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL300003 0.83 PDF (0.61) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL13077268 0.83 PDF (0.53) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL16994987 0.83 PDF (0.50) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL805353 0.82 KDM4E (0.41) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL13076832 0.79 MAPT (0.59) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL13076405 0.79 NR4A1 (0.60) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL13076855 0.78 MAPT (0.58) MAPTNPSR1KDM4EMEN1ALDH1A1

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-2010129049-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-11 — — WO disclosed
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