SCHEMBL7384287

SCHEMBL7384287

CCOC(=O)C(Cc1ccc(C#N)cc1)NC(=O)CCCCc1ccc(C=NN)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSG P08311 4/20 0.42
EGFR P00533 1/20 0.41
CMA1 P23946 3/20 0.41
HDAC1 Q13547 6/20 0.40
HDAC6 Q9UBN7 6/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL7386548 0.89 ITGB3 (0.46) CTSGCMA1HDAC1HDAC6ITGB3
SCHEMBL7386056 0.89 CTSG (0.52) CTSGEGFRCMA1HDAC1HDAC6
SCHEMBL7385771 0.88 HDAC1 (0.54) CTSGCMA1HDAC1HDAC6KMT2A
SCHEMBL7390554 0.88 CTSG (0.43) CTSGCMA1HDAC1HDAC6KMT2A
SCHEMBL7380004 0.87 HDAC1 (0.41) CTSGCMA1HDAC1HDAC6ITGB3
SCHEMBL7388722 0.87 HDAC1 (0.54) CTSGCMA1HDAC1HDAC6
SCHEMBL7382682 0.86 KMT2A (0.41) CTSGCMA1HDAC1HDAC6KMT2A
SCHEMBL7386158 0.85 ALDH1A1 (0.45) CTSGCMA1HDAC1HDAC6ITGB3
SCHEMBL7388294 0.84 TACR1 (0.46) CTSGCMA1HDAC1HDAC6KMT2A
SCHEMBL7384580 0.84 ALDH1A1 (0.46) HDAC1HDAC6ITGB3ITGA2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US claimed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO claimed
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed