SCHEMBL6151189

SCHEMBL6151189

COC=C(C(=O)O)c1ccccc1COc1cc(Cl)c(Oc2ccc(C#N)cc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
NR4A2 P43354 2/20 0.37
MAOB P27338 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAOA P21397 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR1 O14842 1/20 0.35
PGR P06401 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
SCHEMBL6151185 1.00 PTGER4 (0.38) PTGER4NR4A2MAOBTHRATHRB
SCHEMBL5080342 0.92 HIF1A (0.37) MAOBMAOAL3MBTL1PGR
SCHEMBL6151188 0.92 PTGER4 (0.39) PTGER4NR4A2MAOBTHRATHRB
SCHEMBL6149506 0.85 MRGPRX4 (0.41) THRATHRBCYP11B1CYP11B2FFAR1
SCHEMBL6149503 0.85 MRGPRX4 (0.41) THRATHRBCYP11B1CYP11B2FFAR1
SCHEMBL6157649 0.85 HTT (0.39) NR4A2MAOBMAOANPC1RAB9A
SCHEMBL6157644 0.85 HTT (0.39) NR4A2MAOBMAOANPC1RAB9A
SCHEMBL6151533 0.84 OPRL1 (0.41) MAOBTHRATHRB
SCHEMBL6151528 0.84 OPRL1 (0.41) MAOBTHRATHRB
SCHEMBL5080347 0.84 PDCD1 (0.40) PTGER4NR4A2MAOBMAOAL3MBTL1

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