SCHEMBL4583697

SCHEMBL4583697

CC(C)(C)[C@@](Cc1ccccc1)(CN1C(=O)c2ccccc2C1=O)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ASAH1 Q13510 1/20 0.39
CHRM2 P08172 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
SCHEMBL4583410 0.90 ALDH1A1 (0.47) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL1539533 0.89 KMT2A (0.39) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL4374678 0.89 KMT2A (0.47) KMT2APOLBALDH1A1CYP3A4CYP2C9
SCHEMBL3724996 0.86 SMN1; SMN2 (0.37) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL4374146 0.84 KMT2A (0.41) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL4381679 0.82 MEN1 (0.47) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL4073210 0.77 CYP3A4 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL1273081 0.77 CYP3A4 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4583207 0.76 CYP3A4 (0.50) NPC1RAB9AALDH1A1CYP3A4CYP2C9
SCHEMBL16757585 0.75 CYP2C9 (0.44) NPC1RAB9APOLBALDH1A1CYP3A4

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-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed