SCHEMBL20179689

SCHEMBL20179689

C=C(Cl)/C=C(\C)C(=O)CCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.44
CES2 O00748 4/20 0.44
TSHR P16473 2/20 0.41
FFAR3 O14843 3/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL14752821 0.74
SCHEMBL19302366 0.73
SCHEMBL10356923 0.72
SCHEMBL10356922 0.72
SCHEMBL12831741 0.72
SCHEMBL12354183 0.70
SCHEMBL17779148 0.70
SCHEMBL238112 0.70
SCHEMBL30558768 0.70 CES1 (0.48) CES1CES2TSHRFFAR3HDAC3
SCHEMBL16581266 0.70 CES1 (0.48) CES1CES2TSHRFFAR3HDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018091153-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-05-24 WO disclosed