SCHEMBL1668341

SCHEMBL1668341

CC(C)(C)OC(=O)CCOCCCc1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
APP P05067 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FOLH1 Q04609 1/20 0.39
PTGER1 P34995 2/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL1668504 0.94 FFAR4 (0.46) FFAR4FFAR1MTNR1AMTNR1BAPP
SCHEMBL1668747 0.80 YAP1 (0.40) FFAR4MTNR1AMTNR1BAPPRAB9A
SCHEMBL1669343 0.77 OPRD1 (0.40) FFAR4FFAR1MTNR1AMTNR1BAPP
SCHEMBL25310129 0.77 L3MBTL1 (0.55) L3MBTL1
SCHEMBL24757005 0.77 L3MBTL1 (0.55) L3MBTL1
SCHEMBL40228 0.77 HDAC6 (0.44)
SCHEMBL12800403 0.77 OPRD1 (0.46) FFAR4
SCHEMBL30074373 0.76 CYP4F2 (0.51) FFAR1SMN1; SMN2
SCHEMBL24894486 0.76 CYP4F2 (0.51) FFAR1SMN1; SMN2
SCHEMBL26115731 0.76 L3MBTL1 (0.60) L3MBTL1

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