SCHEMBL7386249

SCHEMBL7386249

COc1ccc(CC(CC(=O)O)NC(=O)CCCCc2ccc(C=NN)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.54
ITGA2B P08514 5/20 0.54
ALDH1A1 P00352 3/20 0.49
MME P08473 4/20 0.48
KMT2A Q03164 1/20 0.47
MMEL1 Q495T6 3/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PLA2G2A P14555 1/20 0.43

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
SCHEMBL7381804 0.89 ITGB3 (0.67) ITGB3ITGA2BMMEMMEL1PLA2G2A
SCHEMBL7353849 0.88 ITGB3 (0.46) ITGB3ITGA2BALDH1A1KMT2AHDAC3
SCHEMBL7323685 0.87 LMNA (0.47) ITGB3ITGA2BALDH1A1KMT2A
SCHEMBL7389607 0.85 ITGB3 (0.50) ITGB3ITGA2BALDH1A1MMEMMEL1
SCHEMBL7378676 0.83 ITGB3 (0.49) ITGB3ITGA2BALDH1A1KMT2APLA2G2A
SCHEMBL7386244 0.82 ITGB3 (0.79) ITGB3ITGA2BALDH1A1MMEKMT2A
SCHEMBL7388729 0.82 ITGB3 (0.49) ITGB3ITGA2BALDH1A1KMT2AHDAC3
SCHEMBL7385504 0.81 ITGB3 (0.47) ITGB3ITGA2BALDH1A1KMT2A
SCHEMBL7384462 0.81 ITGB3 (0.46) ITGB3ITGA2BALDH1A1KMT2AHDAC3
SCHEMBL7388815 0.81 ITGB3 (0.46) ITGB3ITGA2BALDH1A1KMT2AHDAC3

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
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