SCHEMBL5087975

SCHEMBL5087975

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.33
AKT1 P31749 1/20 0.33
TACR3 P29371 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
TACR1 P25103 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL4595706 0.83 HCAR2 (0.46) HCAR2THRBHTTCYP2C19KMT2A
SCHEMBL24708816 0.82 THRB (0.43) HCAR2THRBCYP2C19KMT2ACYP3A4
SCHEMBL5091148 0.79 HPGD (0.38) HCAR2HTTKMT2ACYP3A4MEN1
SCHEMBL5088009 0.78 THRB (0.38) HCAR2THRBCYP2C19KMT2AAKT1
SCHEMBL5580239 0.78 KDM4E (0.45) HCAR2THRBCYP2C19KMT2ACYP3A4
Hydrochloric Acid SCHEMBL7722976 0.77 ALDH1A1 (0.44) HCAR2THRBCYP2C19KMT2ACYP3A4
SCHEMBL28863896 0.76 HCAR2 (0.67) HCAR2THRBCYP2C19KMT2ACYP3A4
SCHEMBL41557 0.76 HCAR2 (0.67) HCAR2THRBCYP2C19KMT2ACYP3A4
SCHEMBL2399072 0.75 HCAR2 (0.40) HCAR2HTTCYP2C19KMT2ACYP3A4
SCHEMBL27822148 0.75 CYP2D6 (0.52) HCAR2THRBCYP2C19KMT2ACYP3A4

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