SCHEMBL6849434

SCHEMBL6849434

CC[C@@H](Oc1cc(F)c(-c2nn(C)c(C(F)(F)F)c2Cl)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
XDH P47989 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
SCHEMBL6849429 0.84 PPARD (0.33) PPARGPPARDXDH
SCHEMBL8566681 0.83 PKM (0.39) PTGDR2PPARGPPARD
SCHEMBL7747330 0.83 RAB9A (0.33) PPARD
SCHEMBL6849426 0.82 PPARD (0.32) PTGDR2PPARGPPARD
SCHEMBL8569450 0.82 SMN1; SMN2 (0.33)
SCHEMBL8569813 0.82 ALDH1A1 (0.35)
SCHEMBL27509022 0.81 TLR2 (0.38)
SCHEMBL27318893 0.80 MAPT (0.41) PPARD
SCHEMBL27318894 0.80 L3MBTL1 (0.32)
SCHEMBL8571533 0.80 PKM (0.39) PTGDR2PPARGPPARD

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
US-6770596-B1 Fused tricyclic compounds, process for their preparation, and herbicidal compositions containing them ISHIHARA SANGYO KAISHA LTD. (JP) 2004-08-03 US disclosed
WO-2000073277-A1 FUSED TRICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-12-07 WO disclosed