SCHEMBL5088009

SCHEMBL5088009

C=CC(=O)OC(c1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.36
AKT1 P31749 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 2/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL14336848 0.86 POLB (0.35) THRBHCAR2CYP2C19POLBAKT1
SCHEMBL1493626 0.83 ATM (0.41) THRBHCAR2CYP2C19AKT1L3MBTL1
SCHEMBL14336588 0.81 MEN1 (0.37) THRBHCAR2CYP2C19POLBL3MBTL1
SCHEMBL8213806 0.81 POLB (0.38) HCAR2CYP2C19POLBNPSR1L3MBTL1
SCHEMBL27801809 0.80 POLB (0.41) POLBNPSR1L3MBTL1GAAMAPK1
SCHEMBL14336589 0.80 HCAR2 (0.35) THRBHCAR2KMT2A
SCHEMBL5932732 0.79 POLB (0.40) POLBNPSR1L3MBTL1GAAMAPK1
SCHEMBL5087975 0.78 HCAR2 (0.41) THRBHCAR2CYP2C19AKT1KMT2A
SCHEMBL29387790 0.78 THRB (0.35) THRBHCAR2CYP2C19AKT1L3MBTL1
SCHEMBL11223311 0.77 CYP2D6 (0.42) POLBNPSR1L3MBTL1GAAMAPK1

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
EP-1831305-B1 GRAFT COPOLYMERS WITH SEGMENTED ARMS COATINGS FOREIGN IP CO LLC (US) 2015-08-12 EP disclosed
US-7402624-B2 Graft copolymers with segmented arms and their preparation and use E.I. DU PONT DE NEMOURS & COMPANY (US) 2008-07-22 US disclosed
EP-1831305-A2 GRAFT COPOLYMERS WITH SEGMENTED ARMS AND THEIR PREPARATION AND USE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-09-12 EP disclosed
WO-2006052981-A2 GRAFT COPOLYMERS WITH SEGMENTED ARMS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-05-18 WO disclosed
US-20060100305-A1 Graft copolymers with segmented arms and their preparation and use AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-05-11 US disclosed