SCHEMBL27338142

SCHEMBL27338142

CCOC(=O)C(C(=O)OCC)C(CC(=O)O)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
CYP26A1 O43174 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP8 P22894 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
CNR2 P34972 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
SCHEMBL7450375 0.91 FFAR1 (0.39) FFAR1CYP26A1MAPTLMNAPOLB
SCHEMBL7450364 0.89 MAPT (0.43) FFAR1MAPTLMNAPOLBMAPK1
SCHEMBL9785916 0.84 MEN1 (0.53) MEN1KMT2AMMP8
SCHEMBL2483684 0.79 LMNA (0.45) MAPTLMNAPOLBMAPK1MEN1
SCHEMBL13240785 0.79 LMNA (0.45) MAPTLMNAPOLBMAPK1MEN1
SCHEMBL15645799 0.78 MMP8 (0.50) MAPTLMNAPOLBMEN1CYP2D6
SCHEMBL5685475 0.77 MAPT (0.55) FFAR1MAPTLMNAPOLBMAPK1
SCHEMBL17724447 0.77 CES2 (0.55) FFAR1MAPTLMNAPOLBMEN1
SCHEMBL13194421 0.77 LMNA (0.46) MAPTLMNAPOLBMEN1CYP2D6
SCHEMBL17825651 0.76 ROCK2 (0.45) MAPTLMNAMEN1CYP2D6CYP2C19

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
CN-1041720-C Bicyclic amide derivatives, preparation method thereof, pharmaceutical composition and pharmaceutical application thereof WELLCOME FOUND (GB) 1999-01-20 CN disclosed
CN-1125938-A Bicyclic amide derivatives and their use as muscle relaxants WELLCOME FOUND (GB) 1996-07-03 CN disclosed