Sugi Predict

Sugi Predict / Compounds / SCHEMBL9755294

SCHEMBL9755294

SCHEMBL9755294

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.46
▸ CAPN1 P07384 1/20 0.44
▸ LTA4H P09960 2/20 0.43
▸ BACE2 Q9Y5Z0 3/20 0.42
▸ PTPN1 P18031 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
SCHEMBL9755288 1.00 BACE1 (0.46) BACE1CAPN1LTA4HBACE2PTPN1
SCHEMBL31506920 0.88 LTA4H (0.46) BACE1LTA4H
SCHEMBL30976981 0.83 GLP1R (0.48) BACE1
SCHEMBL30255351 0.83 GLP1R (0.48) BACE1
SCHEMBL31415938 0.83 BACE1 (0.51) BACE1
SCHEMBL2196190 0.83 REN (0.43) PTPN1
SCHEMBL18286725 0.82 BACE1 (0.46) BACE1LTA4HPTPN1
SCHEMBL30799481 0.82 BACE1 (0.51) BACE1LTA4HBACE2PTPN1
SCHEMBL30449279 0.82 BACE1 (0.51) BACE1
SCHEMBL18752938 0.82 LTA4H (0.40) BACE1LTA4HPTPN1

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-0448667-A1 A DNA FRAGMENT ENCODING A RUBBER POLYMERASE AND ITS RELATED PRODUCTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-10-02 — — EP disclosed
WO-1991005792-A1 A DNA FRAGMENT ENCODING A RUBBER POLYMERASE AND ITS RELATED PRODUCTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-02 — — WO disclosed
Send feedback