SCHEMBL3723786

SCHEMBL3723786

CCOc1ccc(Oc2ccc3cc(C(C)=O)ccc3n2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.48
PDE4B Q07343 1/20 0.47
ESRRA P11474 1/20 0.42
CREBBP Q92793 1/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
RORC P51449 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARA Q07869 1/20 0.38
CNR2 P34972 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ADRB2 P07550 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
SCHEMBL3722836 0.92 PDE4B (0.46) ACACBPDE4BESRRACREBBPMAPT
SCHEMBL3721612 0.91 PDE4B (0.52) ACACBPDE4BESRRACREBBPMAPT
SCHEMBL3721012 0.89 PDE4B (0.45) ACACBPDE4BESRRAMAPTTHRB
SCHEMBL3721408 0.87 PDE4B (0.47) PDE4BCREBBPALDH1A1L3MBTL1MEN1
SCHEMBL3720427 0.87 ACACB (0.56) ACACBPDE4BESRRAPPARA
SCHEMBL3723036 0.86 PDE4B (0.51) PDE4BESRRACREBBPMAPTTHRB
SCHEMBL3720457 0.86 PDE4B (0.48) ACACBPDE4BESRRAMAPTALDH1A1
SCHEMBL3726992 0.85 ESRRA (0.53) ACACBESRRACREBBPMAPTALDH1A1
SCHEMBL3723075 0.81 ACACB (0.57) ACACB
SCHEMBL3723076 0.81 MTNR1A (0.50) ACACBMAPTALDH1A1

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed