SCHEMBL23616611

SCHEMBL23616611

CCOCC(=O)COc1ncccc1Oc1nc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.32
PPARG P37231 1/20 0.31
SCN9A Q15858 1/20 0.31
CYP3A4 P08684 1/20 0.30
UGCG Q16739 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK8 P45983 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
SCHEMBL23616665 0.92 POLB (0.32) MEN1KMT2A
SCHEMBL19641827 0.90 PPOX (0.36) DHODHMEN1KMT2A
SCHEMBL31625521 0.90 PPOX (0.36) DHODHMEN1KMT2A
SCHEMBL21001208 0.90 PKM (0.34) DHODHPPARGCYP3A4UGCGMEN1
SCHEMBL31625540 0.90 PKM (0.34) DHODHPPARGCYP3A4UGCGMEN1
SCHEMBL22361942 0.89 PPOX (0.35) DHODHMEN1KMT2A
SCHEMBL20723444 0.88 PPARG (0.33) DHODHPPARGCYP3A4UGCGMAPK8
SCHEMBL29577659 0.88 PPARG (0.33) DHODHPPARGCYP3A4UGCGMAPK8
SCHEMBL23616661 0.88 DHODH (0.35) DHODHCYP3A4UGCG
SCHEMBL22356179 0.88 UGCG (0.33) DHODHSCN9ACYP3A4UGCGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464261-B1 HERBICIDAL URACILPYRID BASF SE (DE) 2021-07-07 EP disclosed