SCHEMBL2308232

SCHEMBL2308232

CC(C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)c1cc2ccccc2oc1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.40
▸ BACE1 P56817 9/20 0.36
▸ MAOB P27338 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ PTGER4 P35408 3/20 0.35

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
SCHEMBL4321426 0.76 BACE1 (0.44) BACE1BACE2PTGER4
SCHEMBL5614017 0.72 MAOB (0.41) BACE1MAOBMAOAPOLB
SCHEMBL6569052 0.69 BACE1 (0.46) BACE1BACE2
SCHEMBL31668884 0.69 BACE1 (0.60) BACE1BACE2
SCHEMBL2168561 0.68 CASP3 (0.41) BACE1MAOBMAOABACE2PTGER4
SCHEMBL3363734 0.68 BACE1 (0.35) PTPN1BACE1POLBBACE2
SCHEMBL29575351 0.67 GNPAT (0.52) BACE1
SCHEMBL30483779 0.65 NAALAD2 (0.64) PTPN1BACE1POLBBACE2
SCHEMBL6930389 0.64 MAOB (0.53) MAOBMAOA
SCHEMBL19750987 0.64 BACE1 (0.56) BACE1BACE2

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-2350121-A1 ANTI-APOPTOTIC FUSION PROTEINS Fändrich, Fred (DE) 2011-08-03 — — EP disclosed
WO-2010052341-A1 ANTI-APOPTOTIC FUSION PROTEINS KUNZENDORF ULRICH (DE) 2010-05-14 — — WO disclosed
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