SCHEMBL28020702

SCHEMBL28020702

CCc1c(C)nn(-c2ccc(OCc3c(Cc4ccc(C(=O)O)cc4C(=O)O)cccc3C3CC3)c(C)c2)c1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.39
AR P10275 4/20 0.35
NR1H4 Q96RI1 1/20 0.33
P2RX7 Q99572 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL28102154 0.84 MRGPRX4 (0.42) MRGPRX4ARL3MBTL1
SCHEMBL28020975 0.84 MRGPRX4 (0.41) MRGPRX4NR1H4
SCHEMBL28020693 0.83 MRGPRX4 (0.39) MRGPRX4NR1H4
SCHEMBL28102138 0.82 MRGPRX4 (0.42) MRGPRX4ARP2RX7L3MBTL1
SCHEMBL28020688 0.81 MRGPRX4 (0.37) MRGPRX4NR1H4
SCHEMBL28020690 0.81 MRGPRX4 (0.38) MRGPRX4NR1H4
SCHEMBL28102025 0.80 MRGPRX4 (0.45) MRGPRX4P2RX7
SCHEMBL28102044 0.80 MRGPRX4 (0.41) MRGPRX4ARNR1H4P2RX7
SCHEMBL28102139 0.80 MRGPRX4 (0.41) MRGPRX4ARP2RX7L3MBTL1
SCHEMBL28097578 0.79 NR1H4 (0.42) MRGPRX4NR1H4

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-104684909-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed