SCHEMBL4523537

SCHEMBL4523537

CCCC#CCC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.33
USP2 O75604 2/20 0.32
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL11545852 0.83 GRIK1 (0.40) GRIK1GRIK2LMNATSHR
SCHEMBL28596809 0.82 LMNA (0.53) LMNAALDH1A1THRBUSP2CYP3A4
SCHEMBL5306433 0.82 LMNA (0.53) LMNAALDH1A1THRBUSP2CYP3A4
SCHEMBL4526347 0.80
SCHEMBL4537639 0.75
SCHEMBL12764851 0.72
SCHEMBL16675568 0.72
SCHEMBL4527998 0.71 THRB (0.31) THRB
SCHEMBL4518674 0.71 LMNA (0.33) LMNATSHR
SCHEMBL4528152 0.71 THRB (0.42) LMNAALDH1A1THRBUSP2CYP3A4

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