SCHEMBL6440314

SCHEMBL6440314

NCCOCCOCCOCCOC(C(=O)O)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.55
ITGA2B P08514 5/20 0.55
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
TACR1 P25103 2/20 0.49
CTSL P07711 3/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
CTRB1 P17538 2/20 0.46

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
SCHEMBL6021991 1.00 ITGB3 (0.55) ITGB3ITGA2BALDH1A1ALOX15TACR1
SCHEMBL6441561 0.85 ITGB3 (0.51) ITGB3ITGA2BALDH1A1
SCHEMBL148500 0.80 LMNA (0.44) ITGB3ITGA2BALDH1A1
SCHEMBL6443111 0.78 SLC7A5 (0.50) ITGB3ITGA2B
SCHEMBL220648 0.76 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15TACR1
SCHEMBL7372270 0.76 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15TACR1
SCHEMBL479010 0.76 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15TACR1
SCHEMBL219151 0.76 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15TACR1
SCHEMBL26661077 0.76 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15TACR1
SCHEMBL3927621 0.76 ITGB3 (0.49) ITGB3ITGA2BALDH1A1ALOX15TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1574516-A1 Antithrombotic compound Sanofi-Aventis (FR) 2005-09-14 EP disclosed