SCHEMBL6937575

SCHEMBL6937575

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.39
PPARG P37231 5/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PPOX P50336 2/20 0.33
ABCB11 O95342 1/20 0.32
PDK2 Q15119 1/20 0.32
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL6939594 0.92 PTGDR2 (0.36) PTGDR2PPARGKDM4EALDH1A1HSD17B10
SCHEMBL6937922 0.87 PTGDR2 (0.36) PTGDR2PPARGPPOX
SCHEMBL6937717 0.87 PPOX (0.35) PPOX
SCHEMBL6937577 0.83 PPARG (0.30) PPARG
SCHEMBL6937730 0.83 POLB (0.30)
SCHEMBL7703288 0.82 BACE1 (0.35) KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6936838 0.82
SCHEMBL6937330 0.82 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6911659 0.81 PTGDR2 (0.37) PTGDR2PPARGKDM4EALDH1A1HSD17B10
SCHEMBL6935033 0.81

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 claimed
EP-1061072-B1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2003-05-14 EP disclosed