SCHEMBL7776329

SCHEMBL7776329

Cc1cc(C)c(O)c(B(O)O)c1.Cc1cc(C)c(O)c(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
CA2 P00918 3/20 0.42
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
SELE P16581 1/20 0.42
CA1 P00915 1/20 0.42
ERN1 O75460 1/20 0.39
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
PTGS1 P23219 2/20 0.34

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
SCHEMBL7232450 1.00 ALDH1A1 (0.50) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL30274968 1.00 ALDH1A1 (0.50) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL7776334 0.79 KDM4E (0.37) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL27800318 0.78 ALDH1A1 (0.65) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL36529 0.78 ALDH1A1 (0.65) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL7776335 0.78 KDM4E (0.39) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL31366444 0.77 ACHE (0.38) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL31716923 0.76 SELL (0.44) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL14973508 0.75 ALDH1A1 (0.62) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL10400343 0.75 ALDH1A1 (0.62) ALDH1A1GAAKDM4EMAPTLMNA

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