SCHEMBL6149506

SCHEMBL6149506

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.41
THRB P10828 2/20 0.41
OPRL1 P41146 1/20 0.40
PPARD Q03181 5/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
HIF1A Q16665 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
THRA P10827 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
SCHEMBL6149503 1.00 MRGPRX4 (0.41) MRGPRX4THRBOPRL1PPARDPPARA
SCHEMBL5080367 0.92 HIF1A (0.43) MRGPRX4THRBOPRL1PPARDPPARA
SCHEMBL6149567 0.89 LIPE (0.41) MRGPRX4
SCHEMBL6149563 0.89 LIPE (0.41) MRGPRX4
SCHEMBL5077012 0.87 MRGPRX4 (0.38) MRGPRX4HIF1A
SCHEMBL5077003 0.87 MRGPRX4 (0.38) MRGPRX4HIF1A
SCHEMBL5079624 0.85 MRGPRX4 (0.39) MRGPRX4HIF1AFFAR1FFAR4
SCHEMBL5079611 0.85 MRGPRX4 (0.39) MRGPRX4HIF1AFFAR1FFAR4
SCHEMBL6151189 0.85 PTGER4 (0.38) THRBFFAR1CYP11B1CYP11B2THRA
SCHEMBL6151185 0.85 PTGER4 (0.38) THRBFFAR1CYP11B1CYP11B2THRA

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