SCHEMBL4374632

SCHEMBL4374632

CC(C)(C)[C@](CO)(Cc1c(F)cccc1F)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 5/20 0.36
GUCY1A2 P33402 5/20 0.36
GUCY1A1 Q02108 5/20 0.36
GUCY1B1 Q02153 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ANO1 Q5XXA6 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
NPC1 O15118 3/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 2/20 0.34
ABCB11 O95342 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PPARG P37231 1/20 0.34
NR1I3 Q14994 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL1539491 0.79 VNN1 (0.42) ANO1POLBRAB9AMEN1KMT2A
SCHEMBL4374146 0.79 KMT2A (0.41) NPC1POLBRAB9AMEN1KMT2A
SCHEMBL1273081 0.78 CYP3A4 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4073210 0.78 CYP3A4 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3722221 0.77 RIPK1 (0.40) SMN1; SMN2POLB
SCHEMBL3950927 0.74 MEN1 (0.46) POLBMEN1KMT2A
SCHEMBL3960044 0.73 RIPK1 (0.41) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4436295 0.73 POLQ (0.43) ANO1POLBPTGS2PPARGMEN1
SCHEMBL7414670 0.73 POLB (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL4594149 0.72 RAB9A (0.43) SMN1; SMN2NPC1POLBRAB9AMEN1

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-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed