SCHEMBL3917643

SCHEMBL3917643

CCOC(=O)Oc1ccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 5/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SOAT1 P35610 1/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CLEC4M Q9H2X3 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
SCHEMBL17223652 0.82 NAPRT (0.39) KDM4ETSHRMEN1POLBGAA
SCHEMBL7207537 0.79 KDM4E (0.42) KDM4EMEN1POLBGAAMAPT
SCHEMBL18343679 0.79 GAA (0.35) KDM4EMEN1POLBGAAMAPT
SCHEMBL28318166 0.78 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRMEN1POLB
SCHEMBL4601907 0.78 ACHE (0.44) KDM4ETSHRMEN1POLBGAA
SCHEMBL28803394 0.76 KMT2A (0.38) ALDH1A1KDM4ETSHRMEN1POLB
SCHEMBL27398666 0.75 BCL9 (0.41) ALDH1A1KDM4ETSHRMEN1POLB
SCHEMBL3812449 0.75
SCHEMBL29020316 0.74 KMT2A (0.50) KDM4EMEN1POLBGAAMAPT
SCHEMBL18886843 0.73 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948454-B1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENT & IND RES AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETI (IN) 2017-05-31 EP claimed
EP-1599203-B1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES CONTAINING ACIDIC, MAINLY HETEROCYCLIC GROUPS, CORRESPONDING PRODUCTION METHOD AND USE OF SAID DERIVATIVES AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2013-10-23 EP disclosed
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP disclosed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO disclosed
EP-1685125-A1 PYRROL DERIVATIVES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
EP-1599203-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES CONTAINING ACIDIC, MAINLY HETEROCYCLIC GROUPS, CORRESPONDING PRODUCTION METHOD AND USE OF SAID DERIVATIVES AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
WO-2005049603-A1 PYRROL DERIVATIVES MERCK PATENT GMBH (DE) 2005-06-02 WO disclosed
WO-2004075891-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES CONTAINING ACIDIC, MAINLY HETEROCYCLIC GROUPS, CORRESPONDING PRODUCTION METHOD AND USE OF SAID DERIVATIVES AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 WO disclosed