SCHEMBL4082991

SCHEMBL4082991

CC(C)(C)NCC(O)COc1cc(OCc2ccccc2)c2c(=O)c(OCc3ccccc3)c(-c3ccccc3)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.60
ADORA3 P0DMS8 5/20 0.54
CYP2D6 P10635 1/20 0.46
ADRB2 P07550 4/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
TOP2A P11388 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5320049 0.83 ADRB2 (0.52) PPARGCYP2D6ADRB2ADRB1ADRB3
SCHEMBL31031155 0.82 PPARG (0.78) PPARGADORA3L3MBTL1
SCHEMBL4258431 0.82 ADRB2 (0.49) PPARGCYP2D6ADRB2ADRB1ADRB3
SCHEMBL4258433 0.82 ADRB2 (0.49) PPARGCYP2D6ADRB2ADRB1ADRB3
SCHEMBL5320677 0.81 MAOA (0.54) PPARGADORA3CYP2D6TOP2A
SCHEMBL7551823 0.80 PPARG (0.92) PPARGADORA3L3MBTL1
SCHEMBL30424171 0.79 PPARG (0.69) PPARGADORA3L3MBTL1
SCHEMBL16151312 0.79 PPARG (0.71) PPARGADORA3L3MBTL1
SCHEMBL3982524 0.76 PPARG (0.67) PPARGADORA3CYP2D6
SCHEMBL7554294 0.76 PPARG (0.67) PPARGADORA3L3MBTL1

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-2057137-A1 R-(-) / S-(+)-7-[3-N-SUBSTITUTED AMINO-2-HYDROXYPROPOXY]FLAVONES Council of Scientific and Industrial Research (IN) 2009-05-13 EP disclosed
WO-2008018089-A1 R-(-) / S-(+)-7-[3-N-SUBSTITUTED AMINO-2-HYDROXYPROPOXY] FLAVONES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-02-14 WO disclosed