SCHEMBL4428623

SCHEMBL4428623

Cn1nccc1-c1cccc(NC(=O)C(Cc2ccccc2)C(NC(=O)O)C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
HDAC8 Q9BY41 8/20 0.45
GPR142 Q7Z601 4/20 0.42
PORCN Q9H237 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CTSD P07339 1/20 0.40
PTGIR P43119 2/20 0.40
CYP2C9 P11712 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
KIF18A Q8NI77 1/20 0.40
MMP2 P08253 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
SCHEMBL4543909 0.79 HDAC8 (0.39) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL3336503 0.79 CTSV (0.51) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL13300080 0.79 CTSV (0.51) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL4435146 0.78 IDO1 (0.45)
SCHEMBL3338335 0.78 CTSV (0.46) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL13300082 0.76 CTSS (0.47) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL4521805 0.76 ROCK2 (0.54) CTSLCTSBMMP2
SCHEMBL23213820 0.75 PORCN (0.49) CTSVCTSLCTSBCTSSPORCN
SCHEMBL4384617 0.74 HDAC8 (0.43) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL4554107 0.74 HDAC8 (0.45) CTSVCTSLCTSBCTSSHDAC8

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-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed