SCHEMBL3677570

SCHEMBL3677570

CCCNC(C)CC=C(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
HTR2A P28223 1/20 0.32
HTT P42858 3/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4332084 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL24162486 0.73 SIGMAR1 (0.33) SIGMAR1
SCHEMBL236096 0.72 GRIK1 (0.35) ALDH1A1TDP1
SCHEMBL23250 0.72 GRIK1 (0.47) ALDH1A1TDP1
SCHEMBL23252 0.72 GRIK1 (0.47) ALDH1A1TDP1
SCHEMBL2785267 0.72 TSHR (0.38) HTR2ATDP1
SCHEMBL439462 0.72 TSHR (0.38) HTR2ATDP1
SCHEMBL1345561 0.72 GRIK1 (0.31)
SCHEMBL4040653 0.71 GRIK1 (0.32)
SCHEMBL2808090 0.71 GRIK1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149867-B1 Crosslinked rubber particles and rubber compositions JSR CORP (JP) 2010-06-16 EP disclosed
US-6977286-B2 Crosslinked rubber particles and rubber compositions JSR CORPORATION (JP) 2005-12-20 US disclosed
US-20040152844-A1 Crosslinked rubber particles and rubber compositions JSR CORPORATION (JP) 2004-08-05 US disclosed
EP-1152030-A2 Rubber mixtures based on crosslinked rubber particles and non-crosslinked rubbers JSR Corporation (JP) 2001-11-07 EP disclosed