SCHEMBL7209876

SCHEMBL7209876

CCCOc1ccc(C(C)OC)c2c1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 2/20 0.34
CA9 Q16790 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL11404312 0.78 KDM4E (0.45) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL27426795 0.73 MAPT (0.45) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL11438618 0.71 STK17B (0.41) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL9245266 0.69 MAPT (0.38) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL9114881 0.68 CNR1 (0.43) KDM4EMAPTALDH1A1KMT2ATP53
SCHEMBL9125315 0.67 ALDH1A1 (0.49) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL8165665 0.66 PDK2 (0.39) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7136989 0.66 PDE3B (0.36) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL10511897 0.65 L3MBTL1 (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL15146346 0.65 ALDH1A1 (0.41) KDM4EMAPTALDH1A1GAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942899-B1 MANUFACTURING PROCESS OF METOPROLOL ASTRAZENECA AB (SE) 2003-03-12 EP disclosed
CN-1332844-A Reaction monitoring ASTRAZENECA AB (SE) 2002-01-23 CN disclosed
EP-1147401-A1 REACTION MONITORING AstraZeneca AB (SE) 2001-10-24 EP disclosed
US-6252113-B1 O-ETHERIFICATION OF P-(2-METHOXYETHYL)-PHENOL WITH AQUEOUS EPICHLOROHYDRIN, EVAPORATION OF EXCESS EPICHLOROHYDRIN, DISTILLATION, THEN AMINATION WITH ISOPROPYLAMINE TO YIELD METOPROLOL PRODUCT ASTRAZENECA AB (SE) 2001-06-26 US disclosed
WO-2000040950-A1 REACTION MONITORING ASTRAZENECA AB (SE) 2000-07-13 WO disclosed
EP-0942899-A1 MANUFACTURING PROCESS OF METOPROLOL Astra Aktiebolag (SE) 1999-09-22 EP disclosed
WO-1998022426-A1 NEW MANUFACTURING PROCESS OF METOPROLOL ASTRA AKTIEBOLAG (SE) 1998-05-28 WO disclosed