SCHEMBL6523127

SCHEMBL6523127

CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2c1ccc(C(=O)O)c2C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
ALDH1A1 P00352 4/20 0.62
MEN1 O00255 2/20 0.62
HTT P42858 2/20 0.62
KMT2A Q03164 2/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
GSTP1 P09211 1/20 0.56
KDM4E B2RXH2 5/20 0.43
CYP3A4 P08684 1/20 0.42
HPGD P15428 3/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
BRCA1 P38398 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FTO Q9C0B1 3/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL1029702 0.88 ALDH1A1 (0.67) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL991486 0.83 MAPT (0.61) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL7575984 0.83 MAPT (0.60) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL6037012 0.82 ALDH1A1 (0.56) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL18009919 0.81 MAPT (0.66) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL284851 0.80 MAPT (0.65) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL5445148 0.80 MEN1 (0.68) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL23029210 0.79 MEN1 (0.70) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL4961814 0.79 ALDH1A1 (0.54) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL3248111 0.78 GSTP1 (0.67) MAPTALDH1A1MEN1HTTKMT2A

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
US-20050208037-A1 Thioredoxin increases redox-cycling of anticancer agents thereby sensitizes cancer cells to apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-09-22 US disclosed