SCHEMBL6148643

SCHEMBL6148643

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 5/20 0.45
CD274 Q9NZQ7 5/20 0.45
MRGPRX4 Q96LA9 5/20 0.44
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4B Q07343 1/20 0.38
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37

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
SCHEMBL6148647 1.00 PDCD1 (0.45) PDCD1CD274MRGPRX4TP53HTT
SCHEMBL5079663 0.91 PDCD1 (0.47) PDCD1CD274MRGPRX4TP53HTT
SCHEMBL6148645 0.91 PDCD1 (0.47) PDCD1CD274MRGPRX4TP53HTT
SCHEMBL6149436 0.87 MRGPRX4 (0.42) PDCD1CD274MRGPRX4TP53HTT
SCHEMBL6149441 0.87 MRGPRX4 (0.42) PDCD1CD274MRGPRX4TP53HTT
SCHEMBL5074588 0.85 TP53 (0.37) MRGPRX4TP53HTTPDE4B
SCHEMBL5074596 0.85 TP53 (0.37) MRGPRX4TP53HTTPDE4B
SCHEMBL5079669 0.83 PDCD1 (0.49) PDCD1CD274MRGPRX4TP53HTT
SCHEMBL5079666 0.82 PDCD1 (0.49) PDCD1CD274MRGPRX4TP53HTT
SCHEMBL6150443 0.82 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