SCHEMBL7965193

SCHEMBL7965193

CC1N(c2cc3c(cc2F)OCC(=O)N3)NCC(=O)N1C(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 14/20 0.38
NR3C1 P04150 9/20 0.38
PGR P06401 5/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
MMP12 P39900 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL7966366 0.77
SCHEMBL9843624 0.73 MAPT (0.43) NR3C2NR3C1PGRMAPTTP53
SCHEMBL7556723 0.70 MMP12 (0.46) NR3C2NR3C1PGRMAPTTP53
SCHEMBL10589333 0.69 MAPT (0.40) NR3C2NR3C1PGRMAPTTP53
SCHEMBL4049030 0.68 MMP12 (0.54) NR3C2PGRMAPTTP53THRB
SCHEMBL8878643 0.67 TRPV1 (0.40) NR3C2MAPTTP53THRBMMP12
SCHEMBL10491107 0.66 MAPT (0.46) NR3C2MAPTTP53THRBMMP12
SCHEMBL10592084 0.66 NR3C2 (0.53) NR3C2NR3C1PGRMAPTTP53
SCHEMBL12060295 0.66 TP53 (0.57) NR3C2PGRMAPTTP53THRB
SCHEMBL12808579 0.65 MMP12 (0.41) NR3C2NR3C1PGRMAPTTP53

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
US-6294503-B1 HERBICIDAL COMPOSITIONS CONTAINING HETEROCYCLES ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-09-25 US disclosed