SCHEMBL28016507

SCHEMBL28016507

CCOC(=O)c1c(C)c(-c2ccc(OCc3c(CC)cccc3Cc3ccc(C(=O)O)cc3C(=O)O)c(C)c2)nn1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.39
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
PTGFR P43088 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
VDR P11473 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL28017198 0.95 MRGPRX4 (0.39) MRGPRX4PTGFRTP53MAPTPSEN1
SCHEMBL28017144 0.92 MRGPRX4 (0.39) MRGPRX4LTB4RLTB4R2PTGFRVDR
SCHEMBL28048667 0.91 MRGPRX4 (0.40) MRGPRX4TP53MAPTPSEN1PSEN2
SCHEMBL28016436 0.89 MRGPRX4 (0.40) MRGPRX4LTB4RLTB4R2PTGFRVDR
SCHEMBL28016502 0.87 MRGPRX4 (0.39) MRGPRX4PTGFRVDRNR1H4
SCHEMBL28016520 0.86 MRGPRX4 (0.40) MRGPRX4LTB4RLTB4R2VDRNR1H4
SCHEMBL28017247 0.85 MRGPRX4 (0.41) MRGPRX4LTB4RLTB4R2PTGFRVDR
SCHEMBL28016504 0.83 MRGPRX4 (0.40) MRGPRX4PTGFRVDRNR1H4
SCHEMBL28016512 0.83 MRGPRX4 (0.41) MRGPRX4LTB4RLTB4R2
SCHEMBL28048621 0.83 MRGPRX4 (0.41) MRGPRX4

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