SCHEMBL11086609

SCHEMBL11086609

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
BACE1 P56817 17/20 0.47
CTSD P07339 5/20 0.45
BACE2 Q9Y5Z0 2/20 0.45
NMT2 O60551 1/20 0.44
NMT1 P30419 1/20 0.44
TLR2 O60603 1/20 0.41

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
SCHEMBL11086616 0.96 BACE1 (0.46) FOLH1BACE1CTSDBACE2
SCHEMBL11087895 0.94 FOLH1 (0.56) FOLH1BACE1CTSDBACE2
SCHEMBL30973969 0.93 FOLH1 (0.57) FOLH1BACE1CTSDBACE2
SCHEMBL29630631 0.92 FOLH1 (0.54) FOLH1BACE1CTSDBACE2NMT2
SCHEMBL30836809 0.92 FOLH1 (0.54) FOLH1BACE1CTSDBACE2NMT2
SCHEMBL30432069 0.92 NMT1 (0.48) FOLH1BACE1CTSDBACE2NMT2
SCHEMBL29715043 0.92 FOLH1 (0.49) FOLH1BACE1CTSDBACE2NMT2
SCHEMBL29391811 0.92 FOLH1 (0.48) FOLH1BACE1CTSDBACE2NMT2
SCHEMBL38659209 0.92 NMT2 (0.45) FOLH1BACE1CTSDBACE2NMT2
SCHEMBL31319511 0.91 NMT2 (0.44) BACE1CTSDNMT2NMT1TLR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4442031-A INTERNAL FRAGMENTS OF THYMOSIN A1 HOFFMANN-LA ROCHE INC. (US) 1984-04-10 US disclosed