SCHEMBL5320049

SCHEMBL5320049

CC(C)(C)NCC(O)COc1ccc2c(=O)c(OCc3ccccc3)c(-c3ccc(OCc4ccccc4)cc3)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
CYP2D6 P10635 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAD52 P43351 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.46
PPARG P37231 1/20 0.44
ABCB1 P08183 1/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4258433 0.93 ADRB2 (0.49) ADRB2ADRB1ADRB3CYP2D6ITGB3
SCHEMBL4258431 0.93 ADRB2 (0.49) ADRB2ADRB1ADRB3CYP2D6ITGB3
SCHEMBL20169801 0.83 ABCG2 (0.59) MEN1KMT2AABCG2PPARGABCB1
SCHEMBL4082991 0.83 PPARG (0.60) ADRB2ADRB1ADRB3CYP2D6ITGB3
SCHEMBL5320651 0.81 MEN1 (0.53) CYP2D6MEN1KMT2AABCG2ABCB1
SCHEMBL1483979 0.81 ADRB2 (0.52) ADRB2ADRB1ADRB3CYP2D6ITGB3
SCHEMBL1483981 0.81 ADRB2 (0.52) ADRB2ADRB1ADRB3CYP2D6ITGB3
SCHEMBL1483974 0.81 ADRB2 (0.52) ADRB2ADRB1ADRB3CYP2D6ITGB3
SCHEMBL4407561 0.79 CYP1A1 (0.48) ADRB2ADRB1ADRB3CYP2D6ITGB3
SCHEMBL14293136 0.78 ADRB2 (0.49) ADRB2ADRB1ADRB3CYP2D6ACHE

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-1807408-A1 OXY SUBSTITUTED FLAVONES AS ANTIHYPERGLYCEMIC AND ANTIDYSLIPIDEMIC AGENTS Council of Scientific and Industrial Research (IN) 2007-07-18 EP claimed
WO-2006040621-A1 OXY SUBSTITUTED FLAVONES AS ANTIHYPERGLYCEMIC AND ANTIDYSLIPIDEMIC AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-04-20 WO claimed