SCHEMBL586703

SCHEMBL586703

CCOC(=O)CC(=O)C1CCN(C(=O)OC)C(Cc2cccc(F)c2)C1.COC(=O)N1CCC(C(=O)O)CC1Cc1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 3/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
POLB P06746 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GLA P06280 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
PKM P14618 1/20 0.35
TACR1 P25103 1/20 0.35
CACNA1G O43497 1/20 0.35

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
SCHEMBL586704 1.00 KMT2A (0.39) KMT2AMEN1LMNABRD4CREBBP
SCHEMBL582368 0.96 KMT2A (0.41) KMT2AMEN1LMNAPOLBOPRM1
SCHEMBL580881 0.96 KMT2A (0.41) KMT2AMEN1LMNAPOLBOPRM1
SCHEMBL3083072 0.96 KMT2A (0.41) KMT2AMEN1LMNAPOLBOPRM1
SCHEMBL582162 0.90 KMT2A (0.43) KMT2ABRD4CREBBPPOLBNPSR1
SCHEMBL3085316 0.87 CHRM1 (0.38) KMT2AMEN1POLBL3MBTL1SMN1; SMN2
SCHEMBL3069035 0.87 CHRM1 (0.38) KMT2AMEN1POLBL3MBTL1SMN1; SMN2
SCHEMBL581176 0.87 CHRM1 (0.38) KMT2AMEN1POLBL3MBTL1SMN1; SMN2
SCHEMBL581342 0.87 NPSR1 (0.43) KMT2AMEN1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL3072810 0.87 NPSR1 (0.43) KMT2AMEN1NPSR1L3MBTL1SMN1; SMN2

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