SCHEMBL7772606

SCHEMBL7772606

CCOc1cccc(B(O)OB(OB(O)c2cccc(OCC)c2O)c2cccc(OCC)c2O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.37
KLK5 Q9Y337 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
IGF1R P08069 1/20 0.36
ALOX15 P16050 1/20 0.36
BACE1 P56817 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
F2 P00734 2/20 0.35

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
SCHEMBL7239536 0.83 LIPE (0.44) KLK1KLK5ALDH1A1HSD17B10MAPT
SCHEMBL7772600 0.83 LIPE (0.44) KLK1KLK5ALDH1A1HSD17B10MAPT
SCHEMBL7772580 0.82 KDM4E (0.50) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL7772605 0.82 LIPE (0.36) KLK1KLK5ALDH1A1HSD17B10MAPT
SCHEMBL674008 0.75 ALDH1A1 (0.52) KLK1KLK5ALDH1A1HSD17B10MAPT
SCHEMBL9825698 0.75 ALDH1A1 (0.52) KLK1KLK5ALDH1A1HSD17B10MAPT
SCHEMBL7768718 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDKDM4EKMT2A
SCHEMBL3790469 0.73 LIPE (0.44) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL1053091 0.72 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL7772646 0.71 ERN1 (0.40)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119573-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2001-08-01 EP disclosed
US-6177419-B1 ANTIOXIDANT CHELATE COMPOUNDS FOR PREVENTING OXYGEN FREE RADICAL-ASSOCIATED DISEASES IN MAMMALS; NEUROPROTECTANTS, SUPEROXIDE DISMUTASE (SOD), CATALASE (CAT) AND/OR PEROXIDASE (POD) MIMETICS EUKARION, INC. 2001-01-23 US disclosed
WO-2000009512-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2000-02-24 WO disclosed