SCHEMBL4583485

SCHEMBL4583485

CC(C)(C)C(NC(=O)O)C(Cc1ccccc1)NC(=O)c1cc(Br)cs1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HPGD P15428 1/20 0.37
PYGL P06737 1/20 0.37
CTSL P07711 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.36
CCR1 P32246 1/20 0.36
HPGDS O60760 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4374524 1.00 ALDH1A1 (0.47) ALDH1A1LMNABCHEACHEHPGD
SCHEMBL4376938 0.90 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4378945 0.90 ALDH1A1 (0.44) ALDH1A1LMNABCHEACHEPYGL
SCHEMBL4383634 0.90 ALDH1A1 (0.41) ALDH1A1LMNAKMT2ACCR1MEN1
SCHEMBL4371837 0.88 HTR2A (0.40) ALDH1A1LMNABCHECTSLL3MBTL1
SCHEMBL4373196 0.87 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2
SCHEMBL4373508 0.86 ALDH1A1 (0.42) ALDH1A1LMNABCHEACHESMN1; SMN2
SCHEMBL4375391 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHPGDCTSLSMN1; SMN2
SCHEMBL4380618 0.86 ALDH1A1 (0.41) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL4378512 0.83 AKT1 (0.40) ALDH1A1LMNAHPGDPYGLKMT2A

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