SCHEMBL5035820

SCHEMBL5035820

CC(=O)CC(O)c1cccc(OCc2c(C)cccc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AOC3 Q16853 2/20 0.41
SLC22A12 Q96S37 2/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL957166 0.82 SLC22A12 (0.44) KMT2ASMN1; SMN2SLC22A12FFAR1
SCHEMBL1007881 0.82 SLC22A12 (0.44) KMT2ASMN1; SMN2SLC22A12FFAR1
SCHEMBL2185411 0.81 MAPK1 (0.41) L3MBTL1HTTKMT2ASMN1; SMN2SLC22A12
SCHEMBL5035708 0.80 F10 (0.44) L3MBTL1HTTKMT2ASMN1; SMN2SLC22A12
SCHEMBL3447800 0.80 MAPK1 (0.46) KMT2ASMN1; SMN2SLC22A12
SCHEMBL27553225 0.80 L3MBTL1 (0.77) L3MBTL1AOC3
SCHEMBL27553226 0.80 L3MBTL1 (0.77) L3MBTL1AOC3
SCHEMBL2088936 0.79 MAPK1 (0.42) HTTKMT2ASMN1; SMN2
SCHEMBL954605 0.78 PTGS1 (0.58) KMT2ASMN1; SMN2SLC22A12FFAR1
SCHEMBL2745203 0.78 PTGS1 (0.58) KMT2ASMN1; SMN2SLC22A12FFAR1

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-1976377-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2008-10-08 EP claimed
WO-2007087505-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-08-02 WO claimed