SCHEMBL7380956

SCHEMBL7380956

CCOC(=O)CC(CC(C)C)NC(=O)CCCCc1ccc(C=NN)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 3/20 0.43
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.37
MMEL1 Q495T6 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.36
PLA2G10 O15496 1/20 0.35
CAPN1 P07384 1/20 0.35
PLA2G2A P14555 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7386535 0.88 ITGB3 (0.49) CYP4Z1ITGB3ITGA2BCYP4F11CYP4F12
SCHEMBL7378676 0.88 ITGB3 (0.49) ITGB3ITGA2BALDH1A1KMT2ASMN1; SMN2
SCHEMBL8971461 0.83 ITGB3 (0.40) CYP4Z1ITGB3ITGA2BCYP4F11CYP4F12
SCHEMBL7385662 0.83 CYP4Z1 (0.43) CYP4Z1ITGB3ITGA2BCYP4F11CYP4F12
SCHEMBL7380948 0.83 ITGB3 (0.60) ITGB3ITGA2BGAAMAPK1NPSR1
SCHEMBL7389607 0.79 ITGB3 (0.50) CYP4Z1ITGB3ITGA2BALDH1A1MMEL1
SCHEMBL7383875 0.78 CYP4Z1 (0.39) CYP4Z1CYP4F11CYP4F12ALDH1A1KMT2A
SCHEMBL9473562 0.77 ENPP2 (0.42) ITGB3ITGA2BALDH1A1GAANPSR1
SCHEMBL7387879 0.77 KMT2A (0.48) CYP4Z1KMT2ASMN1; SMN2POLB
SCHEMBL7380004 0.77 HDAC1 (0.41) CYP4Z1ITGB3ITGA2BKMT2A

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