SCHEMBL12809656

SCHEMBL12809656

CCC(=O)c1ccc(Cn2ncc(C(=O)OC(C)(C)C)c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 4/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FAAH O00519 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
UCHL1 P09936 1/20 0.34

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
SCHEMBL1402982 0.88 GAA (0.49) MAPTALDH1A1NPC1POLBLMNA
SCHEMBL12809444 0.83 NPC1 (0.38) MAPTALDH1A1NPC1POLBNPSR1
SCHEMBL1403420 0.79 ABHD6 (0.49) MAPTALDH1A1NPSR1LMNAKMT2A
SCHEMBL1403236 0.77 NPC1 (0.56) ALDH1A1NPC1LMNAKMT2ASMN1; SMN2
SCHEMBL1402730 0.74 GAA (0.42) MAPTALDH1A1NPC1POLBLMNA
SCHEMBL13124004 0.74 GAA (0.49) ALDH1A1NPC1POLBLMNAKMT2A
SCHEMBL8563045 0.72 CA12 (0.50) MAPTALDH1A1NPC1HTTKMT2A
SCHEMBL1402579 0.68 MAPT (0.52) MAPTALDH1A1NPSR1HTTLMNA
SCHEMBL27700413 0.67 KMT2A (0.57) MAPTALDH1A1NPC1HTTLMNA
SCHEMBL1403039 0.67 TP53 (0.41) MAPTALDH1A1NPC1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292228-A1 Pyrazole derivatives as 11-beta-HSD1 inhibitors AstraZeneca AB (Publ) (SE) 2011-03-09 EP disclosed