SCHEMBL1344665

SCHEMBL1344665

CCC(C(=O)O)C(=O)c1c(F)cc(F)c(OC)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.36
AKR1C3 P42330 6/20 0.36
AKR1C2 P52895 6/20 0.36
AKR1C1 Q04828 1/20 0.35
PTGS1 P23219 1/20 0.35
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MEP1B Q16820 1/20 0.34
TUBB1 Q9H4B7 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APP P05067 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGS2 P35354 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL203637 0.77 MEN1 (0.44) MEP1BTUBB1MEN1KMT2AMAPK1
SCHEMBL29411714 0.77 MEN1 (0.44) MEP1BTUBB1MEN1KMT2AMAPK1
SCHEMBL1344860 0.77 STING1 (0.36) STING1AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL143557 0.77 MEP1B (0.42) STING1AKR1C3AKR1C2PPARDPPARA
SCHEMBL3869745 0.74 MEN1 (0.37) STING1MEP1BTUBB1FFAR1FFAR4
SCHEMBL202056 0.73 TSHR (0.38) STING1MEP1BTUBB1MEN1KMT2A
SCHEMBL1344949 0.71 PKM (0.46) MEN1KMT2A
SCHEMBL28583415 0.71 MEN1 (0.42) TUBB1MEN1KMT2AMAPK1
SCHEMBL11661009 0.69 MAPK1 (0.55) TUBB1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL4483431 0.68 HTT (0.62) PPARDPPARAMEN1KMT2AMAPK1

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
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
EP-2383271-A1 Aminoquinolones as GSK-3 Inhibitors Kyorin Pharmaceutical Co., Ltd. (JP) 2011-11-02 EP disclosed