SCHEMBL4623274

SCHEMBL4623274

CCCCOC(=O)C=Cc1ccc(C=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.68
ATM Q13315 1/20 0.58
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ESR1 P03372 1/20 0.55
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA2 P00918 1/20 0.54
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
HCAR2 Q8TDS4 1/20 0.51
AKR1B10 O60218 1/20 0.51
AKR1B1 P15121 1/20 0.51
MET P08581 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50

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
SCHEMBL4623272 1.00 APP (0.68) APPATMLMNASMN1; SMN2ESR1
SCHEMBL8695972 0.90 APP (0.66) APPLMNASMN1; SMN2CA12CA1
SCHEMBL8695969 0.90 APP (0.66) APPLMNASMN1; SMN2CA12CA1
SCHEMBL6794960 0.88 APP (0.68) APPATMLMNASMN1; SMN2ESR1
SCHEMBL19244249 0.88 APP (0.68) APPATMLMNASMN1; SMN2ESR1
SCHEMBL19088247 0.88 APP (0.68) APPATMLMNASMN1; SMN2ESR1
SCHEMBL10007931 0.88 APP (0.72) APPATMLMNASMN1; SMN2ESR1
SCHEMBL6151754 0.88 APP (0.72) APPATMLMNASMN1; SMN2ESR1
SCHEMBL6794964 0.88 APP (0.68) APPATMLMNASMN1; SMN2ESR1
SCHEMBL10482468 0.87 APP (0.76) APPATMLMNASMN1; SMN2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368287-B1 PROCESS FOR A HOMOGENEOUSLY CATALYZED C-C COUPLING REACTION DSM IP ASSETS BV (NL) 2008-03-26 EP disclosed
US-6784295-B2 CARRIED OUT IN THE PRESENCE OF AN INORGANIC BASE OR ORGANIC NITROGEN BASE AND A PALLADIUM COMPLEX CATALYST CONTAINING SECONDARY MONOPHOSPHINES WITH ALIPHATIC, BRANCHED OR CYCLIC SUBSTITUENTS AS LIGANDS SOLVIAS AG (CH) 2004-08-31 US disclosed
EP-1132361-B1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2003-05-14 EP disclosed
WO-2000033836-A9 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS ONTOGEN CORP (US) 2001-10-04 WO disclosed
WO-2001016057-A1 COUPLING REACTIONS USING PALLADIUM CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-08 WO disclosed
US-6194627-B1 REACTING HALOAROMATIC COMPOUND WITH OLEFIN IN PRESENCE OF PALLADIUM COMPOUND AS CATALYST AVENTIS RESEARCH & TECHNOLOGY GMBH & CO. KG (DE) 2001-02-27 US disclosed
US-5756527-A ANTICARCINOGENIC AGENTS ONTOGEN CORPORATION (US) 1998-05-26 US disclosed
EP-0812830-A1 Modulators of multi-drug resistances ONTOGEN CORPORATION (US) 1997-12-17 EP disclosed
US-5698755-A Process for preparing aromatic olefins using palladacycle catalysis HOECHST AG (DE) 1997-12-16 US disclosed