SCHEMBL4513818

SCHEMBL4513818

CCCC(O)C#CCCO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
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
SCHEMBL26421490 0.84 HMGCR (0.41) HMGCRTSHR
SCHEMBL4514905 0.84 HMGCR (0.34) HMGCRLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL28506401 0.84 LMNA (0.44) HMGCRLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL4526343 0.81
SCHEMBL4530074 0.78
SCHEMBL276069 0.77 TSHR (0.36) HMGCRLMNATSHRALDH1A1
SCHEMBL4521560 0.76
SCHEMBL6361700 0.75 HMGCR (0.46) HMGCRLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL6137599 0.75 HMGCR (0.46) HMGCRLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL6137606 0.75 HMGCR (0.46) HMGCRLMNATSHRALDH1A1SMN1; SMN2

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