SCHEMBL4524995

SCHEMBL4524995

CC(O)CCC#CCCO

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4520954 0.84
SCHEMBL11007272 0.81 USP2 (0.33) TDP1ALDH1A1
SCHEMBL31650287 0.81 TSHR (0.35) TDP1TSHRALDH1A1
SCHEMBL11004857 0.80 TDP1 (0.32) TDP1ALDH1A1
SCHEMBL4513430 0.79
SCHEMBL4534135 0.79
SCHEMBL28435854 0.76
SCHEMBL599288 0.76
SCHEMBL9190523 0.75 HSD17B10 (0.30)
SCHEMBL4537634 0.74 TSHR (0.32) TDP1TSHRALDH1A1

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