SCHEMBL7776334

SCHEMBL7776334

Cc1cc(C)c(O)c(B(O)Oc2c(C)cc(C)cc2B(O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
MPI P34949 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN1 P18031 1/20 0.30
SELL P14151 1/20 0.30
SELP P16109 1/20 0.30
SELE P16581 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL7776329 0.79 ALDH1A1 (0.50) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL30274968 0.79 ALDH1A1 (0.50) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL7232450 0.79 ALDH1A1 (0.50) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL7980067 0.76 ERN1 (0.45) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL7776335 0.75 KDM4E (0.39) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL28685222 0.74 ACHE (0.43) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL7768717 0.70 ALDH1A1 (0.45) KDM4EALDH1A1LMNA
SCHEMBL4859546 0.68 RAPGEF4 (0.36) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL23996067 0.67 HTR1A (0.40) KDM4EALDH1A1MAPTKMT2A
SCHEMBL29590472 0.66 ALDH1A1 (0.38) KDM4EALDH1A1GAAMAPTLMNA

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