SCHEMBL9448577

SCHEMBL9448577

N=C(N)NCCC[C@@H]1NC(=O)C(CC(=O)O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 6/20 0.46
▸ ITGB3 P05106 14/20 0.40
▸ ITGAV P06756 14/20 0.40
▸ ITGB5 P18084 14/20 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
SCHEMBL9448586 1.00 TPSAB1 (0.46) TPSAB1ITGB3ITGAVITGB5
Novexatin SCHEMBL29715903 0.89 TPSAB1 (0.50) TPSAB1
SCHEMBL14906469 0.89 TPSAB1 (0.50) TPSAB1
SCHEMBL29726666 0.89 ITGB3 (0.54) ITGB3ITGAVITGB5
SCHEMBL29568996 0.85 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL8321039 0.84 ITGB3 (0.56) ITGB3ITGAVITGB5
SCHEMBL4405241 0.84 TPSAB1 (0.46) TPSAB1
SCHEMBL24253221 0.83 ITGB3 (0.49) ITGB3ITGAVITGB5
SCHEMBL29568988 0.82 TPSAB1 (0.48) TPSAB1ITGB3
SCHEMBL29569477 0.82 TPSAB1 (0.48) TPSAB1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522081-A4 INHIBITION OF DISEASE ASSOCIATED WITH IMMUNODEFICIENCY VIRUS INFECTION — 1993-06-16 — — EP disclosed
EP-0522081-A1 INHIBITION OF DISEASE ASSOCIATED WITH IMMUNODEFICIENCY VIRUS INFECTION SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 — — EP disclosed
WO-1991015224-A1 INHIBITION OF DISEASE ASSOCIATED WITH IMMUNODEFICIENCY VIRUS INFECTION SMITHKLINE BEECHAM CORPORATION (US) 1991-10-17 — — WO disclosed
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