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Sugi Predict / Compounds / SCHEMBL28017136

SCHEMBL28017136

SCHEMBL28017136

Cc1cc(-c2nn(C)c(Cl)c2C)ccc1OCc1c(Cc2ccc(C(=O)O)cc2C(=O)O)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 9/20 0.39
▸ PTGER1 P34995 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ RORC P51449 7/20 0.36
▸ PPARG P37231 2/20 0.36
▸ NEK2 P51955 1/20 0.36

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
SCHEMBL28016504 0.91 MRGPRX4 (0.40) MRGPRX4
SCHEMBL28016436 0.90 MRGPRX4 (0.40) MRGPRX4
SCHEMBL28016505 0.87 MRGPRX4 (0.42) MRGPRX4PTGER1FFAR1FFAR4
SCHEMBL28016546 0.87 MRGPRX4 (0.37) MRGPRX4PTGER1RORC
SCHEMBL28835554 0.87 MRGPRX4 (0.37) MRGPRX4PTGER1
SCHEMBL28020707 0.86 NR1H4 (0.39) MRGPRX4FFAR4RORC
SCHEMBL28016553 0.84 MRGPRX4 (0.49) MRGPRX4PTGER1
SCHEMBL28020684 0.82 RORC (0.34) MRGPRX4PTGER1RORCNEK2
SCHEMBL28016447 0.82 MRGPRX4 (0.40) MRGPRX4
SCHEMBL28016520 0.81 MRGPRX4 (0.40) MRGPRX4

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-104684908-B Terazololine-one compound and the purposes as insecticide thereof 住友化学株式会社 2016-09-28 — — CN disclosed
CN-104684908-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 — — CN disclosed