SCHEMBL13076501

SCHEMBL13076501

CC1=C(C)c2occ(C(=O)c3ccc4c(c3)OCO4)c2C(=O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
NPSR1 Q6W5P4 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
SRD5A2 P31213 1/20 0.49
HKDC1 Q2TB90 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 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 7/20 0.45
MAPK1 P28482 3/20 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
SCHEMBL13076835 0.93 MAPT (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13077268 0.90 PDF (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL299714 0.83 PDF (0.61) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13076829 0.83 PDF (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13076496 0.83 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13076832 0.79 MAPT (0.59) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13076405 0.79 NR4A1 (0.60) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13076843 0.78 NR4A1 (0.65) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13076855 0.78 MAPT (0.58) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13076407 0.78 MAPT (0.71) MAPTALDH1A1MEN1KMT2AKDM4E

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