SCHEMBL4535680

SCHEMBL4535680

CCC#CC(O)CCCO

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
HMGCR P04035 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL4521479 0.86
SCHEMBL10352754 0.84 HMGCR (0.45) LMNAHMGCR
SCHEMBL4530074 0.78
SCHEMBL4524989 0.76
SCHEMBL21285283 0.76 GRIK1 (0.32) ALDH1A1
SCHEMBL10940666 0.75
SCHEMBL6361700 0.75 HMGCR (0.46) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL6137606 0.75 HMGCR (0.46) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL6137599 0.75 HMGCR (0.46) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL4528803 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHMGCR

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