SCHEMBL28102154

SCHEMBL28102154

CCc1cccc(Cc2ccc(C(=O)O)cc2C(=O)O)c1COc1ccc(-n2nc(C)c(C)c2C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL28102138 0.94 MRGPRX4 (0.42) MRGPRX4L3MBTL1ARHTTMEN1
SCHEMBL28102025 0.92 MRGPRX4 (0.45) MRGPRX4
SCHEMBL28102139 0.92 MRGPRX4 (0.41) MRGPRX4L3MBTL1AR
SCHEMBL28102044 0.92 MRGPRX4 (0.41) MRGPRX4ARMEN1KMT2APOLB
SCHEMBL28102108 0.85 MRGPRX4 (0.42) MRGPRX4ARHTTMEN1KMT2A
SCHEMBL28020702 0.84 MRGPRX4 (0.39) MRGPRX4L3MBTL1AR
SCHEMBL28016512 0.80 MRGPRX4 (0.41) MRGPRX4
SCHEMBL28017098 0.79 MRGPRX4 (0.41) MRGPRX4
SCHEMBL18831675 0.79 MRGPRX4 (0.38) MRGPRX4HTTMEN1KMT2ACYP2C9
SCHEMBL28024498 0.78 MRGPRX4 (0.40) MRGPRX4CYP2C9HIF1A

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-104684908-B Terazololine-one compound and the purposes as insecticide thereof 住友化学株式会社 2016-09-28 CN disclosed