SCHEMBL28020976

SCHEMBL28020976

Cc1cc(-c2nn(C)c(C(N)=O)c2C)ccc1OCc1c(Cc2ccc(C(=O)O)cc2C(=O)O)cccc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.36
NR1H4 Q96RI1 3/20 0.35
RORC P51449 1/20 0.33
VDR P11473 1/20 0.32
CD274 Q9NZQ7 5/20 0.32
GLP1R P43220 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL28016502 0.91 MRGPRX4 (0.39) MRGPRX4NR1H4VDR
SCHEMBL28020707 0.90 NR1H4 (0.39) MRGPRX4NR1H4RORCVDRFFAR4
SCHEMBL28017144 0.90 MRGPRX4 (0.39) MRGPRX4NR1H4VDRCD274
SCHEMBL28048621 0.87 MRGPRX4 (0.41) MRGPRX4CD274
SCHEMBL28020979 0.86 NR1H4 (0.39) MRGPRX4NR1H4RORCVDRGLP1R
SCHEMBL28020690 0.85 MRGPRX4 (0.38) MRGPRX4NR1H4RORCGLP1R
SCHEMBL28017198 0.82 MRGPRX4 (0.39) MRGPRX4NR1H4VDR
SCHEMBL28016507 0.82 MRGPRX4 (0.39) MRGPRX4NR1H4VDRFFAR4
SCHEMBL28020688 0.81 MRGPRX4 (0.37) MRGPRX4NR1H4CD274GLP1R
SCHEMBL28016504 0.80 MRGPRX4 (0.40) MRGPRX4NR1H4VDR

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