SCHEMBL28020690

SCHEMBL28020690

Cc1cc(-c2cc(C)n(C)n2)ccc1OCc1c(Cc2ccc(C(=O)O)cc2C(=O)O)cccc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.38
NR1H4 Q96RI1 2/20 0.35
GLP1R P43220 2/20 0.34
PDE4D Q08499 2/20 0.33
TTR P02766 1/20 0.33
NOTUM Q6P988 1/20 0.33
PTGER1 P34995 1/20 0.32
RORC P51449 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
SCHEMBL28016439 0.90 MRGPRX4 (0.42) MRGPRX4PTGER1
SCHEMBL28016512 0.89 MRGPRX4 (0.41) MRGPRX4TTRPTGER1
SCHEMBL28020688 0.87 MRGPRX4 (0.37) MRGPRX4NR1H4GLP1RPDE4D
SCHEMBL28020979 0.86 NR1H4 (0.39) MRGPRX4NR1H4GLP1RRORC
SCHEMBL28108187 0.86 MRGPRX4 (0.37) MRGPRX4NR1H4GLP1RPDE4DRORC
SCHEMBL28020707 0.86 NR1H4 (0.39) MRGPRX4NR1H4RORC
SCHEMBL28825558 0.85 MRGPRX4 (0.44) MRGPRX4PTGER1
SCHEMBL28020976 0.85 MRGPRX4 (0.36) MRGPRX4NR1H4GLP1RRORC
SCHEMBL28020975 0.82 MRGPRX4 (0.41) MRGPRX4NR1H4GLP1R
SCHEMBL28020693 0.81 MRGPRX4 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104684909-B Terazololine-one compound and the purposes as insecticide thereof 住友化学株式会社 2016-10-12 CN disclosed
CN-104684909-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed