SCHEMBL16985342

SCHEMBL16985342

Cc1cnn(C(C)(C)C(=O)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16985341 0.82 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4TDP1
SCHEMBL16985359 0.77 CYP4F2 (0.39) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL23745310 0.70
SCHEMBL24907460 0.70
SCHEMBL25019043 0.68 LRRK2 (0.43)
SCHEMBL16975556 0.65 ALDH1A1 (0.32) LMNAALDH1A1
SCHEMBL25027384 0.65 ALDH1A1 (0.46) LMNAMAPK1ALDH1A1MAPT
SCHEMBL17785797 0.65 HDAC8 (0.42) LMNA
SCHEMBL21241142 0.64 ELANE (0.45)
SCHEMBL1120130 0.64 LMNA (0.47) LMNAMAPK1KDM4EALDH1A1MAPT

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-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 WO disclosed