SCHEMBL28016504

SCHEMBL28016504

Cc1cc(-c2nn(C)c(Cl)c2C)ccc1OCc1c(C)cccc1Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.40
NR1H4 Q96RI1 3/20 0.36
VDR P11473 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
PPARA Q07869 1/20 0.35
MCL1 Q07820 1/20 0.34
PTGFR P43088 1/20 0.34

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
SCHEMBL28016436 0.94 MRGPRX4 (0.40) MRGPRX4NR1H4VDRPPARAMCL1
SCHEMBL28016505 0.91 MRGPRX4 (0.42) MRGPRX4MCL1
SCHEMBL28835554 0.91 MRGPRX4 (0.37) MRGPRX4NR1H4VDRPPARAMCL1
SCHEMBL28016546 0.91 MRGPRX4 (0.37) MRGPRX4NR1H4VDRPPARAMCL1
SCHEMBL28017136 0.91 MRGPRX4 (0.39) MRGPRX4
SCHEMBL28016447 0.90 MRGPRX4 (0.40) MRGPRX4NR1H4VDRSLC22A12PPARA
SCHEMBL28020707 0.90 NR1H4 (0.39) MRGPRX4NR1H4VDR
SCHEMBL28016553 0.89 MRGPRX4 (0.49) MRGPRX4MCL1
SCHEMBL28016502 0.89 MRGPRX4 (0.39) MRGPRX4NR1H4VDRSLC22A12PTGFR
SCHEMBL28017198 0.88 MRGPRX4 (0.39) MRGPRX4NR1H4VDRSLC22A12PTGFR

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-104684908-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed