SCHEMBL6940077

SCHEMBL6940077

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PPARG P37231 5/20 0.31
PPARA Q07869 5/20 0.31
PPARD Q03181 2/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
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 0.88 PTGDR2 (0.36) PTGDR2SMN1; SMN2PPARGPPARAPPARD
SCHEMBL6939016 0.87 PTGDR2 (0.35) PTGDR2SMN1; SMN2PPARGPPARAPPARD
SCHEMBL6935580 0.83 PTGDR2 (0.33) PTGDR2SMN1; SMN2PPARGPPARAPPARD
SCHEMBL6937109 0.83 PTGDR2 (0.35) PTGDR2SMN1; SMN2PPARGPPARAPOLB
SCHEMBL8094040 0.82 CYP2C19 (0.40) PTGDR2PPARD
SCHEMBL6937106 0.81 PTGDR2 (0.35) PTGDR2SMN1; SMN2PPARGPPARAPPARD
SCHEMBL6937730 0.81 POLB (0.30) POLBGAA
SCHEMBL6937577 0.79 PPARG (0.30) PPARGPPARA
SCHEMBL6939582 0.79 PTGDR2 (0.35) PTGDR2SMN1; SMN2PPARGPPARAPPARD
SCHEMBL6937575 0.75 PTGDR2 (0.39) 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 2 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