SCHEMBL21034414

SCHEMBL21034414

Cc1cc(OCc2cccnc2OCC(=O)O)c(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.47
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
HIF1A Q16665 1/20 0.40
MAPK8 P45983 1/20 0.39
MRGPRX4 Q96LA9 6/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL21034411 0.83 PTGDR2 (0.49) PTGDR2HIF1AMRGPRX4TDP1TSHR
SCHEMBL21034848 0.80 PTGDR2 (0.35) PTGDR2FFAR4HIF1AMAPK8MRGPRX4
SCHEMBL21034419 0.79 PPOX (0.41) MAPK8MRGPRX4TDP1TSHR
SCHEMBL21035049 0.76 BRD4 (0.38) PTGDR2MAPK8
SCHEMBL21034418 0.74 MAPK8 (0.44) MAPK8TSHR
SCHEMBL21902914 0.73 PPOX (0.42) MAPK8TSHR
SCHEMBL21034416 0.71 THRB (0.40) MRGPRX4TDP1TSHR
SCHEMBL29264063 0.70 PKM (0.50) PTGDR2HIF1ATDP1TSHR
SCHEMBL29813459 0.70 PKM (0.50) PTGDR2HIF1ATDP1TSHR
SCHEMBL21034695 0.70 ALOX15 (0.46) PTGDR2FFAR1HIF1AMCL1

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