SCHEMBL7388294

SCHEMBL7388294

CCOC(=O)C(Cc1ccc(Cl)c(Cl)c1)NC(=O)CCCCc1ccc(C=NN)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.46
NOS2 P35228 2/20 0.42
KMT2A Q03164 2/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
HDAC1 Q13547 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
CYP4Z1 Q86W10 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7390554 0.91 CTSG (0.43) NOS2KMT2ACTSGCMA1HDAC1
SCHEMBL7382682 0.91 KMT2A (0.41) KMT2ACTSGCMA1HDAC1HDAC6
SCHEMBL7386056 0.88 CTSG (0.52) CTSGCMA1HDAC1HDAC6
SCHEMBL7385771 0.87 HDAC1 (0.54) KMT2ACTSGCMA1HDAC1HDAC6
SCHEMBL7385254 0.86 ALDH1A1 (0.45) KMT2AHDAC1HDAC6
SCHEMBL7380004 0.86 HDAC1 (0.41) KMT2ACTSGCMA1HDAC1HDAC6
SCHEMBL7386548 0.86 ITGB3 (0.46) KMT2ACTSGCMA1HDAC1HDAC6
SCHEMBL7388722 0.86 HDAC1 (0.54) CTSGCMA1HDAC1HDAC6
SCHEMBL7383460 0.85 CTSG (0.41) KMT2ACTSGCMA1HDAC1HDAC6
SCHEMBL7384580 0.85 ALDH1A1 (0.46) KMT2AHDAC1HDAC6POLB

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