SCHEMBL582160

SCHEMBL582160

CCOC(=O)CC(=O)[C@H]1CCN(C)[C@H](c2ccc(F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ACHE P22303 3/20 0.39
BCHE P06276 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
OPRM1 P35372 1/20 0.37
POLB P06746 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
SCHEMBL3075410 0.86 KMT2A (0.43) KMT2AMEN1MAPK1HTTCHRM1
SCHEMBL3075467 0.86 KMT2A (0.43) KMT2AMEN1MAPK1HTTCHRM1
SCHEMBL580925 0.86 KMT2A (0.43) KMT2AMEN1MAPK1HTTCHRM1
SCHEMBL586931 0.84 KDM4E (0.39) KMT2AMEN1MAPK1ALDH1A1TDP1
SCHEMBL582364 0.81 HTR2A (0.41) KMT2AMEN1MAPK1CHRM1ALDH1A1
SCHEMBL581788 0.79 HSD17B10 (0.40) KMT2AMEN1HTTCHRM1ALDH1A1
SCHEMBL582882 0.77 ALDH1A1 (0.44) KMT2AMEN1HTTALDH1A1TDP1
SCHEMBL581952 0.76 POLB (0.43) ALDH1A1ACHEPOLB
SCHEMBL581313 0.75 GAA (0.40) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3072815 0.75 GAA (0.40) KMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed