SCHEMBL28017144

SCHEMBL28017144

CCc1cccc(Cc2ccc(C(=O)O)cc2C(=O)O)c1COc1ccc(-c2nn(C)c(C(N)=O)c2C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.39
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
PTGFR P43088 1/20 0.33
VDR P11473 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PTPN11 Q06124 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL28016502 0.95 MRGPRX4 (0.39) MRGPRX4PTGFRVDRNR1H4
SCHEMBL28016507 0.92 MRGPRX4 (0.39) MRGPRX4LTB4RLTB4R2PTGFRVDR
SCHEMBL28048621 0.91 MRGPRX4 (0.41) MRGPRX4CD274
SCHEMBL28020976 0.90 MRGPRX4 (0.36) MRGPRX4VDRNR1H4CD274
SCHEMBL28016436 0.89 MRGPRX4 (0.40) MRGPRX4LTB4RLTB4R2PTGFRVDR
SCHEMBL28017198 0.88 MRGPRX4 (0.39) MRGPRX4PTGFRVDRNR1H4
SCHEMBL28016520 0.86 MRGPRX4 (0.40) MRGPRX4LTB4RLTB4R2VDRNR1H4
SCHEMBL28017247 0.85 MRGPRX4 (0.41) MRGPRX4LTB4RLTB4R2PTGFRVDR
SCHEMBL28048667 0.83 MRGPRX4 (0.40) MRGPRX4CD274
SCHEMBL28016512 0.83 MRGPRX4 (0.41) MRGPRX4LTB4RLTB4R2PTPN11

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