SCHEMBL28020979

SCHEMBL28020979

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.39
MRGPRX4 Q96LA9 11/20 0.38
VDR P11473 1/20 0.35
RORC P51449 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.33
GLP1R P43220 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL28016560 0.90 MRGPRX4 (0.42) NR1H4MRGPRX4VDR
SCHEMBL28017247 0.89 MRGPRX4 (0.41) NR1H4MRGPRX4VDR
SCHEMBL28020707 0.89 NR1H4 (0.39) NR1H4MRGPRX4VDRRORCHSD17B13
SCHEMBL28020690 0.86 MRGPRX4 (0.38) NR1H4MRGPRX4RORCGLP1R
SCHEMBL28020976 0.86 MRGPRX4 (0.36) NR1H4MRGPRX4VDRRORCGLP1R
SCHEMBL28020688 0.84 MRGPRX4 (0.37) NR1H4MRGPRX4GLP1R
SCHEMBL28108187 0.83 MRGPRX4 (0.37) NR1H4MRGPRX4VDRRORCGLP1R
SCHEMBL28016522 0.82 MRGPRX4 (0.52) MRGPRX4
SCHEMBL28020975 0.82 MRGPRX4 (0.41) NR1H4MRGPRX4GLP1R
SCHEMBL28020693 0.81 MRGPRX4 (0.39) NR1H4MRGPRX4

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