SCHEMBL4666489

SCHEMBL4666489

CC(C)(C)OC(=O)CCOCCc1ccc(Br)cc1.O=C(O)CCOCCc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
FFAR4 Q5NUL3 3/20 0.44
PPARD Q03181 3/20 0.40
PPARA Q07869 2/20 0.40
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PDPK1 O15530 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL20025313 0.95 PPARD (0.41) FFAR1FFAR4PPARDPPARACTSS
SCHEMBL19294595 0.95 PPARD (0.41) FFAR1FFAR4PPARDPPARACTSS
SCHEMBL19294596 0.86 FFAR1 (0.55) FFAR1FFAR4PPARDLMNAL3MBTL1
SCHEMBL3580780 0.86 FFAR1 (0.55) FFAR1FFAR4PPARDLMNAL3MBTL1
SCHEMBL18741368 0.83 MEN1 (0.40) FFAR1PPARANR1H2NR1H3MEN1
SCHEMBL18741285 0.83 MTNR1A (0.34) FFAR1PPARANR1H2NR1H3
SCHEMBL3590948 0.83 TDP1 (0.49) FFAR1CTSSCTSKL3MBTL1MEN1
SCHEMBL17593417 0.82 PPARD (0.41) FFAR1FFAR4PPARDPPARACTSS
SCHEMBL18741306 0.82 KCNH2 (0.41) FFAR1PPARDPPARALMNAL3MBTL1
SCHEMBL20025317 0.82 PPARA (0.40) PPARANR1H2NR1H3

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-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 WO disclosed