SCHEMBL6320535

SCHEMBL6320535

CCOC(=O)CCC(O)c1ccc(OCc2ccc(F)cc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
GSK3B P49841 2/20 0.50
BACE1 P56817 2/20 0.50
FFAR1 O14842 4/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
MMP1 P03956 3/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGER1 P34995 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
SCHEMBL2087231 0.81 MAOB (0.64) MAOBGSK3BBACE1MEN1KMT2A
SCHEMBL3914637 0.78 FFAR1 (0.44) MAOBFFAR1
SCHEMBL3906109 0.76 CYP4F2 (0.53) MAOBGSK3BBACE1MEN1KMT2A
SCHEMBL8754509 0.73 MAPK1 (0.52) MEN1KMT2APOLBTDP1
SCHEMBL6328433 0.72 ALDH1A1 (0.45) MAOBMEN1KMT2APOLBMME
SCHEMBL6327588 0.72 ALDH1A1 (0.45) MAOBMEN1KMT2APOLBALDH1A1
SCHEMBL5096512 0.72 MAOB (0.57) MAOBGSK3BBACE1FFAR1MME
SCHEMBL2087094 0.72 MMP1 (0.56) MAOBGSK3BBACE1FFAR1MEN1
SCHEMBL2087082 0.71 MAOB (1.00) MAOBGSK3BBACE1MMP1PPARA
SCHEMBL3720430 0.70 MAOB (0.50) MAOBGSK3BBACE1MEN1KMT2A

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
US-6858602-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2005-02-22 US disclosed