SCHEMBL21034848

SCHEMBL21034848

CC(C)(O)C(C)(C)OBc1cc(OCc2cccnc2OCC(=O)O)c(Cl)cc1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.35
CYP2C19 P33261 1/20 0.35
MRGPRX4 Q96LA9 5/20 0.34
MAPK8 P45983 1/20 0.34
HIF1A Q16665 1/20 0.33
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
SLC13A5 Q86YT5 2/20 0.33
SCN1A P35498 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 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
SCHEMBL21034414 0.80 PTGDR2 (0.47) PTGDR2MRGPRX4MAPK8HIF1AFFAR4
SCHEMBL21034411 0.75 PTGDR2 (0.49) PTGDR2CYP2C19MRGPRX4HIF1ACARM1
SCHEMBL21034419 0.69 PPOX (0.41) MRGPRX4MAPK8
SCHEMBL21035049 0.68 BRD4 (0.38) PTGDR2MAPK8CARM1
SCHEMBL17177297 0.63 LMNA (0.34)
SCHEMBL29264063 0.63 PKM (0.50) PTGDR2CYP2C19HIF1ACARM1
SCHEMBL29813459 0.63 PKM (0.50) PTGDR2CYP2C19HIF1ACARM1
SCHEMBL1280541 0.63 ALOX15 (0.46) PTGDR2HIF1AFFAR4
SCHEMBL27912615 0.63 KMT2A (0.58) PTGDR2MAPK8HIF1A
SCHEMBL31118335 0.62 HIF1A (0.39) PTGDR2CYP2C19MAPK8HIF1AFFAR4

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
WO-2019101551-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2019-05-31 WO disclosed