SCHEMBL600157

SCHEMBL600157

CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC)[C@H](c2cc(F)c(Cl)c(F)c2)C1.COC(=O)N1CCC(C(=O)O)CC1c1cc(F)c(Cl)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
CD274 Q9NZQ7 3/20 0.33
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CXCR2 P25025 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR1 P21453 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL581760 0.96 KDM4E (0.37) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL3063338 0.96 KDM4E (0.37) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL581133 0.96 KDM4E (0.37) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL3078762 0.88 ALDH1A1 (0.35) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL3074921 0.88 ALDH1A1 (0.35) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL581047 0.88 ALDH1A1 (0.35) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL580874 0.88 CHRNB4 (0.35) CD274CHRNB4CHRNA3
SCHEMBL581402 0.86 SMN1; SMN2 (0.38) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL3069685 0.86 SMN1; SMN2 (0.38) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL581403 0.86 SMN1; SMN2 (0.38) KDM4ETSHRSMN1; SMN2POLBALDH1A1

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