Sugi Predict

Sugi Predict / Compounds / SCHEMBL30140855

SCHEMBL30140855

SCHEMBL30140855

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

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.57
▸ CTSD P07339 4/20 0.55
▸ BACE2 Q9Y5Z0 5/20 0.52

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
SCHEMBL29771986 0.94 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL31182975 0.90 BACE1 (0.49) BACE1CTSD
SCHEMBL29413790 0.90 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL31514359 0.90 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL29590924 0.89 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL29679534 0.89 FOLH1 (0.56) BACE1CTSDBACE2
SCHEMBL30924860 0.89 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL31751397 0.88 PTPN1 (0.54) BACE1CTSD
SCHEMBL30099525 0.88 FOLH1 (0.55) BACE1CTSDBACE2
SCHEMBL30159739 0.88 FOLH1 (0.57) BACE1CTSD

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-20230050804-A1 USE OF CCDC157 GENE AND MUTANT GENES THEREOF AS MOLECULAR MARKERS IN DIAGNOSIS OF MALE INFERTILITY DISEASES ZHEJIANG UNIVERSITY (CN) 2023-02-16 — — US disclosed
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