SCHEMBL6451796

SCHEMBL6451796

CN(C)/C(=C/CCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.49
GPR52 Q9Y2T5 7/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 1/20 0.42
KEAP1 Q14145 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL4392238 0.82 NPC1 (0.42) KMT2AALDH1A1ALOX5
SCHEMBL197321 0.77 GRIK1 (0.53) GRIK1GPR52ALDH1A1KEAP1
SCHEMBL197322 0.77 GRIK1 (0.53) GRIK1GPR52ALDH1A1KEAP1
SCHEMBL22607727 0.76 GRIK1 (0.56) GRIK1GPR52ALDH1A1KEAP1
SCHEMBL8218335 0.76 GRIK1 (0.56) GRIK1GPR52ALDH1A1KEAP1
(Chloromethyl)Benzene SCHEMBL130255 0.76 NPC1 (0.37) KMT2AALDH1A1
SCHEMBL2855445 0.74 GRIK1 (0.42) GRIK1GPR52KMT2AALDH1A1KEAP1
SCHEMBL9380744 0.74 GRIK1 (0.62) GRIK1GPR52ALDH1A1ALOX5KEAP1
SCHEMBL5744602 0.73 GRIK1 (0.57) GRIK1GPR52ALDH1A1KEAP1
SCHEMBL5744604 0.73 GRIK1 (0.57) GRIK1GPR52ALDH1A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504044-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION, Law Department (US) 2005-02-09 EP claimed
US-6767638-B2 Core-shell polymeric compositions MEADWESTVACO CORPORATION 2004-07-27 US claimed
WO-2003097709-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION (US) 2003-11-27 WO claimed
US-20030215604-A1 Core-shell polymeric compositions WESTVACO CORPORATION (US) 2003-11-20 US claimed
EP-1504044-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION, Law Department (US) 2005-02-09 EP disclosed
US-6767638-B2 Core-shell polymeric compositions MEADWESTVACO CORPORATION 2004-07-27 US disclosed
WO-2003097709-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION (US) 2003-11-27 WO disclosed
US-20030215604-A1 Core-shell polymeric compositions WESTVACO CORPORATION (US) 2003-11-20 US disclosed