SCHEMBL1126000

SCHEMBL1126000

COc1ccccc1C(SC(c1ccccc1)(c1ccccc1)c1ccccc1OC)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KIF11 P52732 5/20 0.40
ALDH1A1 P00352 3/20 0.38
NR3C2 P08235 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL1126001 0.85 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL1849169 0.85 HTT (0.42) CA1CA2CA7CA9CA12
SCHEMBL27965943 0.78 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL31090708 0.76 FYN (0.43) KIF11ALDH1A1HTTMAPK1MEN1
SCHEMBL7803196 0.76 KIF11 (0.44) KIF11NR3C2
SCHEMBL8784001 0.76 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL9013821 0.76 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL8785032 0.76 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL1425722 0.74 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL4599958 0.74 CYP19A1 (0.48) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283063-A1 SYNTHESIS OF HYBRID BLOCK COPOLYMERS FROM DIFLUOROACETATE AMMONIUM SALTS Intezyne Technologies Inc. (US) 2011-02-16 EP disclosed
EP-2152320-A2 ENCAPSULATED CONTRAST AGENTS Intezyne Technologies Incorporated (US) 2010-02-17 EP disclosed
WO-2009134984-A1 SYNTHESIS OF HYBRID BLOCK COPOLYMERS FROM DIFLUOROACETATE AMMONIUM SALTS INTEZYNE TECHNOLGIES INC. (US) 2009-11-05 WO disclosed
EP-2073850-A1 HYBRID BLOCK COPOLYMER MICELLES WITH MIXED STEREOCHEMISTRY FOR ENCAPSULATION OF HYDROPHOBIC AGENTS Intezyne Technologies Incorporated (US) 2009-07-01 EP disclosed
EP-1833958-A4 SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF INTEZYNE TECHNOLOGIES INC (US) 2009-01-14 EP disclosed
WO-2008134734-A2 ENCAPSULATED CONTRAST AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 WO disclosed
WO-2008134731-A1 HYBRID BLOCK COPOLYMER MICELLES WITH MIXED STEREOCHEMISTRY FOR ENCAPSULATION OF HYDROPHOBIC AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 WO disclosed
WO-2008106657-A2 ENCAPSULATED AMYLOID-BETA PEPTIDES INTEZYNE TECHNOLOGIES, INC. (US) 2008-09-04 WO disclosed
EP-1907444-A2 POLYMERIC MICELLES FOR DRUG DELIVERY Intezyne Technologies Incorporated (US) 2008-04-09 EP disclosed
EP-1833958-A2 SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF Intezyne Technologies Incorporated (US) 2007-09-19 EP disclosed
EP-1807436-A2 HETEROBIFUNCTIONAL POLY(ETHYLENE GLYCOL) AND USES THEREOF Intezyne Technologies Incorporated (US) 2007-07-18 EP disclosed
WO-2006107903-A2 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-10-12 WO disclosed
WO-2006074202-A2 SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-07-13 WO disclosed
WO-2006047419-A2 HETEROBIFUNCTIONAL POLY(ETHYLENE GLYCOL) AND USES THEREOF INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-05-04 WO disclosed