SCHEMBL7588938

SCHEMBL7588938

CN(CC(=O)c1ccc(OCC(=O)O)cc1)C(=O)CCc1cccc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
FFAR1 O14842 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
EGFR P00533 2/20 0.35
ALOX15 P16050 1/20 0.35
ESR1 P03372 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
SCHEMBL7592919 0.94 LMNA (0.37) LMNAPOLBMAPTITGB3ITGA2B
SCHEMBL7795621 0.90 LMNA (0.39) LMNAPOLBMAPTITGB3ITGA2B
SCHEMBL7796040 0.83 ITGB3 (0.40) LMNAPOLBMAPTITGB3ITGA2B
SCHEMBL7796055 0.78 ITGB1 (0.41) LMNAMAPTITGB3ITGA2BSMN1; SMN2
SCHEMBL7796051 0.77 MAPK1 (0.43) LMNAPOLBMAPTSMN1; SMN2KDM4E
SCHEMBL7795113 0.77 ITGB3 (0.55) POLBITGB3ITGA2BITGAV
SCHEMBL7795627 0.73 SMN1; SMN2 (0.39) MAPTITGB3ITGA2BSMN1; SMN2KDM4E
SCHEMBL7796029 0.73 NPC1 (0.39) LMNAPOLBMAPTSMN1; SMN2KDM4E
SCHEMBL7796035 0.72 MAPT (0.40) LMNAPOLBMAPTITGB3ITGA2B
SCHEMBL8180024 0.71 ITGB3 (0.44) MAPTITGB3ITGA2BHIF1ASMN1; SMN2

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-6028087-A Platelet aggregation inhibiting compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-02-22 US disclosed
EP-0677043-A4 1995-11-22 EP disclosed
EP-0677043-A1 PLATELET AGGREGATION INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
WO-1994014775-A1 PLATELET AGGREGATION INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed