SCHEMBL4531048

SCHEMBL4531048

CCCC(O)C#CC(C)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
SPHK1 Q9NYA1 1/20 0.33
PGK1 P00558 1/20 0.31
LMNA P02545 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
SCHEMBL276069 0.89 TSHR (0.36) TSHRSPHK1PGK1LMNA
SCHEMBL19384867 0.81 LMNA (0.37) TSHRSPHK1PGK1LMNA
SCHEMBL2535364 0.81 ALDH1A1 (0.39) SPHK1LMNA
SCHEMBL4458578 0.80 TSHR (0.33) TSHRSPHK1
SCHEMBL7694842 0.79 HMGCR (0.43) SPHK1LMNA
SCHEMBL4458575 0.79
SCHEMBL5185073 0.78 HMGCR (0.42) TSHRSPHK1PGK1LMNA
SCHEMBL4531715 0.78
SCHEMBL28857976 0.77
SCHEMBL7694844 0.77 TSHR (0.36) TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619125-B2 Hydrogenation promoter, hydrogenation catalyst, and process for producing alkene compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-11-17 US disclosed
US-20080033221-A1 Hydrogenation Promoter, Hydrogenation Catalyst, and Process for Producing Alkene Compound NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2008-02-07 US disclosed