SCHEMBL8747816

SCHEMBL8747816

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.39
HCRTR2 O43614 2/20 0.39
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.37
CCR6 P51684 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
ALOX12 P18054 1/20 0.37
FTO Q9C0B1 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
CDK1 P06493 1/20 0.37

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
SCHEMBL8890586 0.90 ALDH1A1 (0.37) ELANETSHRHTTHCRTR2ALDH1A1
SCHEMBL6292090 0.89 HTT (0.39) ELANETSHRHTTHCRTR2ALDH1A1
SCHEMBL6292089 0.87 TSHR (0.38) ELANETSHRHTTHCRTR2ALDH1A1
SCHEMBL8493474 0.86 TSHR (0.37) ELANETSHRHTTHCRTR2ALDH1A1
SCHEMBL9116296 0.85 TSHR (0.36) ELANETSHRHTTHCRTR2ALDH1A1
SCHEMBL8816612 0.85 TP53 (0.41) ELANETSHRHTTALDH1A1SMN1; SMN2
SCHEMBL8488004 0.85 HTT (0.45) TSHRHTTALDH1A1RAB9ANPC1
SCHEMBL8813481 0.85 HTT (0.39) TSHRHTTHCRTR2ALDH1A1RAB9A
SCHEMBL9115275 0.84 TSHR (0.36) ELANETSHRHTTHCRTR2ALDH1A1
SCHEMBL8491674 0.84 HTT (0.39) TSHRHTTHCRTR2ALDH1A1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997027187-A1 ISOXAZOLE AND 2-CYANO-1,3-DIONES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-31 WO disclosed
WO-1997023491-A1 NEW HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-03 WO disclosed
EP-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP disclosed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO disclosed