SCHEMBL8907391

SCHEMBL8907391

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(F)cc1CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PLA2G2A P14555 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MMP2 P08253 1/20 0.35
BMP1 P13497 1/20 0.35
THRB P10828 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL8491672 0.92 HTT (0.42) HTTTDP1PLA2G2AMEN1KMT2A
SCHEMBL8890797 0.87 TDP1 (0.37) HTTTDP1L3MBTL1MEN1KMT2A
SCHEMBL8491704 0.85 HTT (0.41) HTTMEN1KMT2APOLBTSHR
SCHEMBL8488004 0.84 HTT (0.45) HTTMEN1KMT2ATSHRALDH1A1
SCHEMBL8891083 0.83 HTT (0.40) HTTMEN1KMT2ATSHRALDH1A1
SCHEMBL8891315 0.83 HTT (0.40) HTTPLA2G2AMEN1KMT2ATSHR
SCHEMBL8892755 0.82 HTT (0.39) HTTMEN1KMT2ATSHRALDH1A1
SCHEMBL8491826 0.82 HTT (0.44) HTTMEN1KMT2ATSHRALDH1A1
SCHEMBL8488638 0.82 HTT (0.44) HTTMEN1KMT2ATSHRALDH1A1
SCHEMBL9116715 0.81 HTT (0.41) HTTMEN1KMT2ATSHRALDH1A1

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed