SCHEMBL9218640

SCHEMBL9218640

CCCN1CC(=O)N(c2ccc(O)cc2F)C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.46
ESR2 Q92731 3/20 0.46
HDAC6 Q9UBN7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.33
CHRM2 P08172 1/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8812869 0.82 LMNA (0.39) TAS2R8ALDH1A1MAPTNPC1MEN1
SCHEMBL8579780 0.76 GRM4 (0.52) ESR1ESR2XIAPBIRC2MAPT
SCHEMBL10378643 0.70 DRD2 (0.37) MAPTMEN1KMT2A
SCHEMBL10392498 0.66 ESR1 (0.52) ESR1ESR2
SCHEMBL8581414 0.65 ESR1 (0.41) ESR1ESR2HDAC6
SCHEMBL8583544 0.64 ESR1 (0.62) ESR1ESR2
SCHEMBL10749668 0.63 BMPR1B (0.48) ESR1ESR2ALDH1A1
SCHEMBL7212105 0.62 L3MBTL1 (0.42) HDAC6L3MBTL1PARP1PARP2
SCHEMBL10718524 0.61 L3MBTL1 (0.42) HDAC6L3MBTL1ALDH1A1MAPTPARP1
SCHEMBL13853160 0.61 HDAC6 (0.50) HDAC6L3MBTL1PARP1PARP2

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-0656892-A1 HERBICIDAL 2- (4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORPORATION (US) 1995-06-14 EP disclosed