SCHEMBL8654367

SCHEMBL8654367

CCS(=O)(=O)Nc1cc(Br)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMYD3 Q9H7B4 1/20 0.35
DHODH Q02127 3/20 0.34
CCKBR P32239 6/20 0.33
WDR5 P61964 2/20 0.33
ACLY P53396 1/20 0.33
CCR9 P51686 1/20 0.33
POLB P06746 1/20 0.32
ADRA2A P08913 1/20 0.32
MAPK1 P28482 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
SCHEMBL7550772 0.84 DHODH (0.38) ALDH1A1KDM4EMAPTHPGDDHODH
SCHEMBL7575613 0.80 DHODH (0.33) DHODHPOLBMAPK1
SCHEMBL6054844 0.79 DHODH (0.35) ALDH1A1HPGDDHODHWDR5CCR9
SCHEMBL6054845 0.78 DHODH (0.33) DHODHPOLBMAPK1
SCHEMBL8492072 0.78 DHODH (0.38) MAPTHPGDDHODHPOLB
SCHEMBL8747845 0.77 FLT1 (0.36) ALDH1A1MAPTHPGDDHODHCCR9
SCHEMBL9240128 0.77 MAPK1 (0.32) ALDH1A1SMYD3DHODHMAPK1
SCHEMBL7576379 0.77 PDE2A (0.32) DHODHMAPK1
SCHEMBL8649601 0.76 NR1H4 (0.35) ALDH1A1KDM4EHPGDSMYD3DHODH
SCHEMBL9422376 0.76 DHODH (0.34) DHODHPOLB

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-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 EP claimed