SCHEMBL6150439

SCHEMBL6150439

CO/N=C(/C(=O)O)c1ccccc1COc1cc(OCC2CC2)c(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 6/20 0.49
CD274 Q9NZQ7 6/20 0.49
HIF1A Q16665 8/20 0.45
MRGPRX4 Q96LA9 3/20 0.44
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6150443 1.00 PDCD1 (0.49) PDCD1CD274HIF1AMRGPRX4TP53
SCHEMBL5075861 0.91 HIF1A (0.55) PDCD1CD274HIF1AMRGPRX4TP53
SCHEMBL5075864 0.91 PDCD1 (0.49) PDCD1CD274MRGPRX4TP53HTT
SCHEMBL5080568 0.89 PDCD1 (0.47) PDCD1CD274HIF1AMRGPRX4TP53
SCHEMBL5080558 0.89 PDCD1 (0.47) PDCD1CD274HIF1AMRGPRX4TP53
SCHEMBL6151029 0.87 HIF1A (0.43) PDCD1CD274HIF1AMRGPRX4TP53
SCHEMBL6151025 0.87 HIF1A (0.43) PDCD1CD274HIF1AMRGPRX4TP53
SCHEMBL5074622 0.85 HIF1A (0.48) PDCD1CD274HIF1AMRGPRX4TP53
SCHEMBL5074618 0.85 HIF1A (0.48) PDCD1CD274HIF1AMRGPRX4TP53
SCHEMBL5079669 0.83 PDCD1 (0.49) PDCD1CD274MRGPRX4TP53HTT

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
EP-1494991-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES Isagro Ricerca S.r.l. (IT) 2005-01-12 EP disclosed
WO-2003087032-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES ISAGRO RICERCA S.R.L. (IT) 2003-10-23 WO disclosed