SCHEMBL1668504

SCHEMBL1668504

CC(C)(C)OC(=O)CCOCCc1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.46
FFAR1 O14842 2/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APP P05067 1/20 0.41
FOLH1 Q04609 1/20 0.40
CYP2C9 P11712 1/20 0.39
PTGER1 P34995 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL1668341 0.94 FFAR4 (0.45) FFAR4FFAR1THRATHRBRAB9A
SCHEMBL24894486 0.82 CYP4F2 (0.51) FFAR1SMN1; SMN2
SCHEMBL30074373 0.82 CYP4F2 (0.51) FFAR1SMN1; SMN2
SCHEMBL13225831 0.82 FFAR1 (0.56) FFAR4FFAR1
SCHEMBL3590948 0.80 TDP1 (0.49) FFAR1APP
SCHEMBL1559211 0.78 CTSB (0.42) FFAR4FFAR1THRATHRB
SCHEMBL1670717 0.78 YAP1 (0.45) THRBSMN1; SMN2
SCHEMBL12800828 0.77 OPRD1 (0.39) FFAR4FFAR1APPCYP2C9PTGER1
SCHEMBL16050838 0.77 FFAR4 (0.57) FFAR4FFAR1THRATHRBRAB9A
SCHEMBL27821150 0.77 FFAR4 (0.51) FFAR4FFAR1THRATHRBRAB9A

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
WO-2011048409-A1 CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ASTRAZENECA AB (SE) 2011-04-28 WO disclosed