SCHEMBL6935580

SCHEMBL6935580

CCC(Oc1cc(-c2c(Cl)c(C(F)(F)Cl)n(C)c2Cl)c(F)cc1Cl)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.33
PPARA Q07869 5/20 0.32
PPARG P37231 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PPARD Q03181 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
SCHEMBL6937922 0.93 PTGDR2 (0.36) PTGDR2PPARAPPARGSMN1; SMN2PPARD
SCHEMBL6937109 0.91 PTGDR2 (0.35) PTGDR2PPARAPPARGSMN1; SMN2POLB
SCHEMBL6937730 0.85 POLB (0.30) POLBGAA
SCHEMBL6937106 0.85 PTGDR2 (0.35) PTGDR2PPARAPPARGSMN1; SMN2PPARD
SCHEMBL6939016 0.84 PTGDR2 (0.35) PTGDR2PPARAPPARGSMN1; SMN2PPARD
SCHEMBL6940077 0.83 PTGDR2 (0.36) PTGDR2PPARAPPARGSMN1; SMN2PPARD
SCHEMBL6937577 0.82 PPARG (0.30) PPARAPPARG
SCHEMBL6937575 0.80 PTGDR2 (0.39) PTGDR2PPARG
SCHEMBL6939582 0.80 PTGDR2 (0.35) PTGDR2PPARAPPARGSMN1; SMN2PPARD
SCHEMBL6939594 0.78 PTGDR2 (0.36) PTGDR2PPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061072-B1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2003-05-14 EP disclosed
US-6391827-B1 CONTROLLING WEEDS ISAGRO RICERCA S.R.L. (IT) 2002-05-21 US disclosed
EP-1061072-A1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA S.r.l. (IT) 2000-12-20 EP disclosed