SCHEMBL8525868

SCHEMBL8525868

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)cc1-n1cnnn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MLYCD O95822 1/20 0.35
KCNH2 Q12809 3/20 0.35
GPR119 Q8TDV5 3/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL8525706 0.89 LMNA (0.37) LMNAPOLBMLYCDPTGDR2HCRTR1
SCHEMBL8524250 0.87 LMNA (0.37) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL8524334 0.85 HCRTR2 (0.43) MLYCDPTGDR2HCRTR1HCRTR2
SCHEMBL8817056 0.84 MLYCD (0.41) LMNAPOLBALDH1A1MLYCDPTGDR2
SCHEMBL8488086 0.83 MLYCD (0.40) LMNAPOLBKDM4EALDH1A1MLYCD
SCHEMBL8494706 0.83 KDM4E (0.39) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL8492222 0.82 ALDH1A1 (0.42) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL8490972 0.82 KDM4E (0.38) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL7613973 0.81 MLYCD (0.41) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL8494698 0.80 LMNA (0.35) LMNAPOLBGAAKDM4EALDH1A1

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-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed