SCHEMBL2314404

SCHEMBL2314404

CCC(CC)(COC)C(CC(=O)c1ccc(Br)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
HPGD P15428 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 3/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
KMT2A Q03164 7/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.36

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
SCHEMBL2395037 0.73 GSK3B (0.39) GSK3BHPGDRAB9ANPC1HDAC3
SCHEMBL180665 0.71 GSK3B (0.53) GSK3BHPGDRAB9ANPC1HDAC3
SCHEMBL20142949 0.70 GSK3B (0.52) GSK3BHPGDRAB9ANPC1HDAC3
SCHEMBL5006811 0.69 GSK3B (0.43) GSK3BHPGDRAB9ANPC1HDAC3
SCHEMBL1748168 0.68 GSK3B (0.46) GSK3BHPGDRAB9ANPC1HDAC3
SCHEMBL1748024 0.67 GSK3B (0.48) GSK3BHPGDRAB9ANPC1HDAC3
SCHEMBL11430934 0.67 GSK3B (0.57) GSK3BHPGDRAB9ANPC1HDAC3
SCHEMBL10021821 0.67 GSK3B (0.57) GSK3BHPGDRAB9ANPC1HDAC3
SCHEMBL20530433 0.66 GSK3B (0.50) GSK3BHPGDRAB9ANPC1HDAC3
SCHEMBL20159373 0.65 ALDH1A1 (0.50) GSK3BHPGDRAB9ANPC1HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed