SCHEMBL581952

SCHEMBL581952

CCOC(=O)CC(=O)[C@@H]1CCN(C)[C@H](c2ccc(OC(F)(F)F)cc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
ENPP2 Q13822 2/20 0.40
FFAR4 Q5NUL3 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 2/20 0.37
NOTUM Q6P988 1/20 0.37
CHRM4 P08173 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
HSD11B1 P28845 1/20 0.36
MAPT P10636 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
EPHX2 P34913 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
SCHEMBL582329 0.88 POLB (0.42) POLBENPP2FFAR4ALDH1A1LMNA
SCHEMBL582008 0.88 POLB (0.42) POLBENPP2FFAR4ALDH1A1LMNA
SCHEMBL582009 0.88 POLB (0.42) POLBENPP2FFAR4ALDH1A1LMNA
SCHEMBL581486 0.85 FFAR4 (0.40) POLBENPP2FFAR4ALDH1A1LMNA
SCHEMBL581788 0.85 HSD17B10 (0.40) POLBALDH1A1SMN1; SMN2
SCHEMBL582351 0.80 POLB (0.48) POLBENPP2ALDH1A1LMNASMN1; SMN2
SCHEMBL599010 0.77 CYP11B1 (0.39) POLBALDH1A1LMNASMN1; SMN2EPHX2
SCHEMBL581169 0.77 CYP11B1 (0.39) POLBALDH1A1LMNASMN1; SMN2EPHX2
SCHEMBL581644 0.77 CYP11B1 (0.39) POLBALDH1A1LMNASMN1; SMN2EPHX2
SCHEMBL582160 0.76 KMT2A (0.41) POLBALDH1A1ACHE

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