SCHEMBL28016502

SCHEMBL28016502

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.39
PTGFR P43088 1/20 0.33
PTGER1 P34995 2/20 0.33
VDR P11473 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 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
SCHEMBL28017144 0.95 MRGPRX4 (0.39) MRGPRX4PTGFRVDRNR1H4
SCHEMBL28017198 0.92 MRGPRX4 (0.39) MRGPRX4PTGFRPTGER1VDRNR1H4
SCHEMBL28048621 0.91 MRGPRX4 (0.41) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL28020976 0.91 MRGPRX4 (0.36) MRGPRX4VDRNR1H4
SCHEMBL28016504 0.89 MRGPRX4 (0.40) MRGPRX4PTGFRVDRNR1H4SLC22A12
SCHEMBL28016507 0.87 MRGPRX4 (0.39) MRGPRX4PTGFRVDRNR1H4
SCHEMBL28016498 0.86 MRGPRX4 (0.41) MRGPRX4PTGFRPTGER1VDRNR1H4
SCHEMBL28016447 0.86 MRGPRX4 (0.40) MRGPRX4VDRNR1H4SLC22A12
SCHEMBL28102146 0.86 MRGPRX4 (0.40) MRGPRX4PTGFRPTGER1VDRNR1H4
SCHEMBL28016560 0.85 MRGPRX4 (0.42) MRGPRX4PTGER1VDRNR1H4SLC22A12

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