SCHEMBL28037686

SCHEMBL28037686

N#COC(=O)c1cccc(CI)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
MRGPRX4 Q96LA9 8/20 0.39
SLC7A5 Q01650 3/20 0.38
FOLH1 Q04609 1/20 0.38
NR4A2 P43354 1/20 0.36

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
SCHEMBL18652178 0.80 LOXL2 (0.49) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL4446686 0.78 LOXL2 (0.70) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL27962222 0.78 LOXL2 (0.47) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL27666815 0.75 TSHR (0.52) LOXL2CYP4F2CYP4A11
SCHEMBL22019046 0.74 SLC7A5 (0.62) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL1421808 0.73 FOLH1 (0.66) MRGPRX4FOLH1NR4A2
SCHEMBL27924009 0.73 SLC7A5 (0.47) LOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL481109 0.73 LOXL2 (0.62) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL3870676 0.73 LMNA (0.56)
SCHEMBL4980546 0.72 CYP3A4 (0.50) LOXL2CYP4F2CYP4A11SLC7A5

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
CN-105051037-A Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions comprising the same as active agent LG LIFE SCIENCES LTD 2015-11-11 CN disclosed