SCHEMBL2167997

SCHEMBL2167997

C/C(C=O)=C\c1coc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31

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
SCHEMBL2168005 1.00 HDAC3 (0.38) HDAC3ALDH1A1TSHRENPP3ENPP1
SCHEMBL2818395 0.80 HDAC3 (0.37) HDAC3ENPP3ENPP1
SCHEMBL2818400 0.80 HDAC3 (0.37) HDAC3ENPP3ENPP1
SCHEMBL2818397 0.80 HDAC3 (0.37) HDAC3ENPP3ENPP1
SCHEMBL231196 0.76
SCHEMBL4141187 0.75 HDAC3 (0.37) HDAC3ENPP3ENPP1
SCHEMBL14620132 0.73 HDAC3 (0.33) HDAC3
SCHEMBL29208074 0.71
SCHEMBL31205758 0.69 HDAC3 (0.42) HDAC3ALDH1A1ENPP3ENPP1
SCHEMBL7068854 0.67 KDM4E (0.38) ALDH1A1TSHR

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
US-7985872-B2 Method for producing olefin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-26 US disclosed
US-20090036620-A1 METHOD FOR PRODUCING OLEFIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-05 US disclosed
EP-1970368-A1 METHOD FOR PRODUCING OLEFIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-09-17 EP disclosed
US-7173137-B2 Epothilone analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-06 US disclosed