SCHEMBL28016553

SCHEMBL28016553

Cc1cc(-c2nn(C)c(Cl)c2C)ccc1OCc1cccc(Cc2ccc(C(=O)O)cc2C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.49
MCL1 Q07820 1/20 0.40
PTGER1 P34995 4/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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 0.89 MRGPRX4 (0.40) MRGPRX4MCL1
SCHEMBL28016505 0.88 MRGPRX4 (0.42) MRGPRX4MCL1PTGER1
SCHEMBL28016522 0.87 MRGPRX4 (0.52) MRGPRX4MCL1PTGER1RXRARXRB
SCHEMBL28016436 0.87 MRGPRX4 (0.40) MRGPRX4MCL1
SCHEMBL28835554 0.84 MRGPRX4 (0.37) MRGPRX4MCL1PTGER1
SCHEMBL28017136 0.84 MRGPRX4 (0.39) MRGPRX4PTGER1
SCHEMBL28016546 0.84 MRGPRX4 (0.37) MRGPRX4MCL1PTGER1
SCHEMBL28020707 0.83 NR1H4 (0.39) MRGPRX4
SCHEMBL28020684 0.80 RORC (0.34) MRGPRX4PTGER1
SCHEMBL28016447 0.80 MRGPRX4 (0.40) MRGPRX4MCL1

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