SCHEMBL28017247

SCHEMBL28017247

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 13/20 0.41
NR1H4 Q96RI1 2/20 0.35
VDR P11473 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
PTPN11 Q06124 1/20 0.34
PPARA Q07869 1/20 0.34
PTGFR P43088 1/20 0.33

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
SCHEMBL28016560 0.94 MRGPRX4 (0.42) MRGPRX4NR1H4VDR
SCHEMBL28020979 0.89 NR1H4 (0.39) MRGPRX4NR1H4VDR
SCHEMBL28016520 0.88 MRGPRX4 (0.40) MRGPRX4NR1H4VDRLTB4RLTB4R2
SCHEMBL28016436 0.88 MRGPRX4 (0.40) MRGPRX4NR1H4VDRLTB4RLTB4R2
SCHEMBL28016522 0.86 MRGPRX4 (0.52) MRGPRX4
SCHEMBL28016512 0.85 MRGPRX4 (0.41) MRGPRX4LTB4RLTB4R2PTPN11PPARA
SCHEMBL28016507 0.85 MRGPRX4 (0.39) MRGPRX4NR1H4VDRLTB4RLTB4R2
SCHEMBL28017144 0.85 MRGPRX4 (0.39) MRGPRX4NR1H4VDRLTB4RLTB4R2
SCHEMBL28017098 0.83 MRGPRX4 (0.41) MRGPRX4LTB4RLTB4R2PTPN11PPARA
SCHEMBL28016504 0.82 MRGPRX4 (0.40) MRGPRX4NR1H4VDRPPARAPTGFR

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