SCHEMBL4592075

SCHEMBL4592075

Cc1cc(C)n(CC(=O)O)c(=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
LMNA P02545 1/20 0.46
POLB P06746 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
APEX1 P27695 2/20 0.40
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.37

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
SCHEMBL7894752 0.83 KDM4E (0.47) KDM4ELMNAPOLBALDH1A1MAPT
SCHEMBL2828050 0.79 KDM4E (0.54) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2825300 0.79 KDM4E (0.47) KDM4ELMNAPOLBALDH1A1L3MBTL1
SCHEMBL11503765 0.78 LMNA (0.50) KDM4ELMNAGRIN2DGRIN3BGRIA1
SCHEMBL11837808 0.75 POLB (0.64) KDM4ELMNAPOLBALDH1A1MAPT
SCHEMBL10787108 0.74 LMNA (0.52) KDM4ELMNAPOLBALDH1A1MAPT
SCHEMBL4591971 0.73 KDM4E (0.49) KDM4ELMNAPOLBALDH1A1MAPT
SCHEMBL4891897 0.73 ALDH1A1 (0.42) KDM4ELMNAPOLBALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL31151859 0.73 POLB (0.37) KDM4ELMNAPOLBALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL30898623 0.72 POLB (0.41) KDM4ELMNAPOLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101287738-B Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE 2011-08-10 CN disclosed
CN-101287738-A Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2008-10-15 CN disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-4159202-A PHOTOCOPYING HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed