SCHEMBL5773300

SCHEMBL5773300

CCC(O)CC=Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.56
CTSC P53634 1/20 0.46
PAM P19021 1/20 0.46
GRIK1 P39086 2/20 0.45
GRIK2 Q13002 2/20 0.45
IDO1 P14902 2/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL5771311 1.00 HTR2A (0.56) HTR2ACTSCPAMGRIK1GRIK2
SCHEMBL6009944 0.82 HTR2A (0.53) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL2664332 0.81 HTR2A (0.38) HTR2ACTSCGRIK1GRIK2
SCHEMBL26093212 0.81 HTR2A (0.49) HTR2AGRIK1GRIK2LMNATSHR
SCHEMBL6286622 0.80 HTR2A (0.60) HTR2ACTSCPAMGRIK1GRIK2
SCHEMBL19604562 0.80 HTR2A (0.66) HTR2ACTSCPAMGRIK1GRIK2
SCHEMBL21189126 0.80 HTR2A (0.66) HTR2ACTSCPAMGRIK1GRIK2
SCHEMBL5475692 0.80 HTR2A (0.66) HTR2ACTSCPAMGRIK1GRIK2
SCHEMBL5475689 0.80 HTR2A (0.66) HTR2ACTSCPAMGRIK1GRIK2
SCHEMBL4029905 0.79 HTR2A (0.59) HTR2APAMGRIK1GRIK2IDO1

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-0787750-B1 Poly(alkylethylene) structural isomers BOREALIS GMBH (AT) 2003-05-14 EP claimed
EP-1480988-A4 REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS UNIV COLUMBIA (US) 2006-03-29 EP disclosed
EP-1480988-A1 REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS The Trustees of Columbia University in the City of New York (US) 2004-12-01 EP disclosed
WO-2003074534-A1 REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-09-12 WO disclosed
EP-0787750-B1 Poly(alkylethylene) structural isomers BOREALIS GMBH (AT) 2003-05-14 EP disclosed
US-6388020-B2 MODIFIED WITH LESS THAN 5% BY WEIGHT OF MONOFUNCTIONAL, DIFUNCTIONAL AND POLYFUNCTIONAL MONOMERS; IMPROVED MELT PROCESSABILITY; SHEETS, FILMS, PANELS, COATINGS, PIPES, HOLLOW OBJECTS AND FOAMS BOREALIS GMBH (AT) 2002-05-14 US disclosed
US-20010016628-A1 Modified with less than 5% by weight of monofunctional, difunctional and polyfunctional monomers; improved melt processability; sheets, films, panels, coatings, pipes, hollow objects and foams BOREALIS GMBH (AU) 2001-08-23 US disclosed
EP-0792894-A2 Continuous modification of polyolefins in solid phase PCD-Polymere Gesellschaft m.b.H. (AT) 1997-09-03 EP disclosed
EP-0787750-A2 Poly(alkylethylene) structural isomers PCD-Polymere Gesellschaft m.b.H. (AT) 1997-08-06 EP disclosed