SCHEMBL6669586

SCHEMBL6669586

CCOC(=O)C(C=O)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
LDHA P00338 1/20 0.44
KMT2A Q03164 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 3/20 0.43
POLB P06746 2/20 0.43
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL1970366 0.87 MEN1 (0.46) KMT2APOLBMEN1NPC1SMN1; SMN2
SCHEMBL23409168 0.85 RAB9A (0.46) LDHAKMT2AMEN1NPC1RAB9A
SCHEMBL1970294 0.85 MEN1 (0.44) KMT2AGAAMEN1MAPTRAB9A
SCHEMBL6366891 0.84 SMN1; SMN2 (0.43) KMT2APOLBMEN1NPC1MAPT
SCHEMBL11770256 0.83 ESR1 (0.49) ALOX15KMT2AGAAMAPTSMN1; SMN2
SCHEMBL27971666 0.82 MAPT (0.47) KMT2AGAAPOLBEPHX2MEN1
SCHEMBL2554850 0.82 MAPT (0.47) KMT2AGAAMEN1MAPTSMN1; SMN2
SCHEMBL3232287 0.82 CA12 (0.45) GAAPOLBEPHX2MAPTSMN1; SMN2
SCHEMBL5313250 0.82 L3MBTL1 (0.51) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL1516027 0.81 MMP8 (0.53) KMT2AGAAMEN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213279-B1 VENLAFAXINE PRODUCTION PROCESS MEDICHEM SA (ES) 2004-09-15 EP disclosed
US-6645983-B1 Heterocyclic imines such as 3-(4-methoxyphenyl)-1,4-dihydro-4 -quinolinone, used as anticarcinogenic agents having cytolysis efficiency; side effect reduction LABORATOIRE L. LAFON (FR) 2003-11-11 US disclosed
US-6506941-B1 Venlafaxine production process MEDICHEM, S.A. (ES) 2003-01-14 US disclosed
EP-1213279-A1 VENLAFAXINE PRODUCTION PROCESS Medichem S.A. (ES) 2002-06-12 EP disclosed