SCHEMBL4008494

SCHEMBL4008494

CC(C)(C)CC1CCC(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.80
ACACA Q13085 6/20 0.80
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
CYP2C9 P11712 3/20 0.59
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 1/20 0.59
MAPT P10636 1/20 0.57
TSHR P16473 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL4002278 0.94 ACACB (0.78) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL13768020 0.90 ACACB (0.76) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL4388595 0.90 ACACB (0.76) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL4388602 0.90 ACACB (0.76) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL4393143 0.90 ACACB (0.76) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL4393146 0.90 ACACB (0.76) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL13590665 0.89 ACACB (0.81) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL13590594 0.89 ACACB (1.00) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL4008491 0.89 ACACB (0.75) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL13590801 0.88 ACACB (0.73) ACACBACACAMEN1KMT2ACYP2C9

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