SCHEMBL4514905

SCHEMBL4514905

CCCC#CC(O)CCO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 3/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 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
SCHEMBL4513818 0.84 HMGCR (0.33) HMGCRALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL4521479 0.83
SCHEMBL4521560 0.83
SCHEMBL4530368 0.80
SCHEMBL11106178 0.79 HMGCR (0.33) HMGCR
SCHEMBL6125719 0.79 HMGCR (0.51) HMGCRLMNA
SCHEMBL11111347 0.79 HMGCR (0.33) HMGCRTSHR
SCHEMBL5306425 0.77
SCHEMBL6361700 0.77 HMGCR (0.46) HMGCRALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL6137606 0.77 HMGCR (0.46) HMGCRALDH1A1SMN1; SMN2LMNAHSD17B10

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