SCHEMBL4566636

SCHEMBL4566636

O=C(NCC1CCC(C[C@H]2CCOC2)CC1)c1cc(-c2ccc(N3CC[C@@H](O)C3)nc2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.47
ACACA Q13085 10/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC1 Q13547 1/20 0.42

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
SCHEMBL13590745 0.89 ACACB (0.56) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL4395489 0.89 ACACB (0.52) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL4395481 0.89 ACACB (0.52) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL13590746 0.88 ACACB (0.60) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL13768280 0.88 ACACB (0.53) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL4392817 0.85 ACACB (0.51) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL4392809 0.85 ACACB (0.51) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL4391594 0.84 ACACB (0.54) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL4391583 0.84 ACACB (0.54) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL4395558 0.83 ACACB (0.54) ACACBACACAKDM4EALDH1A1L3MBTL1

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-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO claimed