SCHEMBL7776335

SCHEMBL7776335

Cc1cc(C)c(O)c(B(O)OB(OB(O)c2cc(C)cc(C)c2O)c2cc(C)cc(C)c2O)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ERN1 O75460 1/20 0.31

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
SCHEMBL7980070 0.81 ERN1 (0.47) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL7232450 0.78 ALDH1A1 (0.50) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL7776329 0.78 ALDH1A1 (0.50) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL30274968 0.78 ALDH1A1 (0.50) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL7776334 0.75 KDM4E (0.37) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL7768718 0.70 ALDH1A1 (0.46) KDM4EALDH1A1LMNA
SCHEMBL36529 0.67 ALDH1A1 (0.65) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL27800318 0.67 ALDH1A1 (0.65) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL7776321 0.67
SCHEMBL7776310 0.67 TRPA1 (0.43) ALDH1A1LMNAGAAMAPTSELL

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