SCHEMBL7380004

SCHEMBL7380004

CCOC(=O)c1ccc(CC(NC(=O)CCCCc2ccc(C=NN)cc2)C(=O)OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.41
HDAC6 Q9UBN7 8/20 0.41
KMT2A Q03164 2/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CYP4Z1 Q86W10 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 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
SCHEMBL7386056 0.90 CTSG (0.52) HDAC1HDAC6CTSGCMA1
SCHEMBL7390554 0.90 CTSG (0.43) HDAC1HDAC6KMT2ACTSGCMA1
SCHEMBL7385771 0.90 HDAC1 (0.54) HDAC1HDAC6KMT2ACTSGCMA1
SCHEMBL7386548 0.89 ITGB3 (0.46) HDAC1HDAC6KMT2ACTSGCMA1
SCHEMBL7388722 0.89 HDAC1 (0.54) HDAC1HDAC6CTSGCMA1
SCHEMBL7382682 0.88 KMT2A (0.41) HDAC1HDAC6KMT2ACTSGCMA1
SCHEMBL7384287 0.87 CTSG (0.42) HDAC1HDAC6KMT2ACTSGCMA1
SCHEMBL7386158 0.86 ALDH1A1 (0.45) HDAC1HDAC6CTSGCMA1ITGB3
SCHEMBL7388294 0.86 TACR1 (0.46) HDAC1HDAC6KMT2ACTSGCMA1
SCHEMBL7384580 0.86 ALDH1A1 (0.46) HDAC1HDAC6KMT2AITGB3ITGA2B

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 4 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
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed