SCHEMBL6149441

SCHEMBL6149441

COC=C(C(=O)O)c1ccccc1COc1cc(OCC2CC2(Cl)Cl)c(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.42
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
PDCD1 Q15116 4/20 0.36
CD274 Q9NZQ7 4/20 0.36
AKR1B1 P15121 1/20 0.35

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
SCHEMBL6149436 1.00 MRGPRX4 (0.42) MRGPRX4TP53HTTS1PR1S1PR5
SCHEMBL5075834 0.92 MRGPRX4 (0.39) MRGPRX4TP53HTTPDCD1CD274
SCHEMBL6149439 0.91 MRGPRX4 (0.44) MRGPRX4TP53HTTS1PR1S1PR5
SCHEMBL6148647 0.87 PDCD1 (0.45) MRGPRX4TP53HTTPDCD1CD274
SCHEMBL6148643 0.87 PDCD1 (0.45) MRGPRX4TP53HTTPDCD1CD274
SCHEMBL5077199 0.87 TP53 (0.35) MRGPRX4TP53HTTS1PR1S1PR5
SCHEMBL5077196 0.87 TP53 (0.35) MRGPRX4TP53HTTS1PR1S1PR5
SCHEMBL5075839 0.84 MRGPRX4 (0.43) MRGPRX4TP53HTTS1PR1S1PR5
SCHEMBL5075838 0.83 MRGPRX4 (0.44) MRGPRX4TP53HTTS1PR1S1PR5
SCHEMBL6151025 0.83 HIF1A (0.43) MRGPRX4TP53HTTS1PR1S1PR5

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