SCHEMBL29557040

SCHEMBL29557040

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.54
▸ CTSC P53634 1/20 0.43
▸ BACE1 P56817 9/20 0.41
▸ BACE2 Q9Y5Z0 2/20 0.41
▸ CTSD P07339 3/20 0.41
▸ CPB2 Q96IY4 2/20 0.41
▸ CTSL P07711 1/20 0.40
▸ ENPEP Q07075 1/20 0.40

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
SCHEMBL29608854 0.93 FOLH1 (0.56) FOLH1BACE1BACE2CTSDCPB2
SCHEMBL30640888 0.93 FOLH1 (0.56) FOLH1BACE1BACE2CTSDCPB2
SCHEMBL31415961 0.93 FOLH1 (0.62) FOLH1CTSCCPB2
SCHEMBL29351126 0.93 FOLH1 (0.62) FOLH1CTSCCPB2
SCHEMBL30553841 0.92 FOLH1 (0.46) FOLH1CTSCCPB2
SCHEMBL29679811 0.91 FURIN (0.47) FOLH1BACE1BACE2CTSD
SCHEMBL30786578 0.91 FOLH1 (0.49) FOLH1BACE1BACE2CTSDENPEP
SCHEMBL29680025 0.91 FOLH1 (0.45) FOLH1BACE1CTSD
SCHEMBL31396831 0.90 FURIN (0.42) FOLH1CPB2
SCHEMBL29530901 0.90 FOLH1 (0.51) FOLH1CTSCENPEP

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
CN-114053398-A New medicinal application of heme polypeptide derivative 吉林省澳宇生物科技有限公司 2022-02-18 — — CN disclosed
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